Monomers
4-Phenyl-1-butene
Identifiers
IUPAC name
but-3-enylbenzene
InchI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InchI Key
PBGVMIDTGGTBFS-UHFFFAOYSA-N
SMILES
C=CCCc1ccccc1
Canonical SMILES
C=CCCC1=CC=CC=C1
Isomeric SMILES
C=CCCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
-2.4494 -0.2652 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6105 0.2726 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 1.2053 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 1.4207 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6563 0.3857 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0337 -0.3332 -0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 -1.3519 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 -1.6557 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2387 -0.9477 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2987 0.0371 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 -0.0588 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1964 -0.9777 -1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5537 -0.0538 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2195 2.2373 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 1.0272 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0886 2.3622 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 1.7558 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6348 -0.1569 -2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3021 -1.9272 -1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3519 -2.4405 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6755 -1.1388 2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 0.6036 2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers