1-methyl-3-pent-1-enylbenzene

C12H16 — CID 54093666

IUPAC1-methyl-3-pent-1-enylbenzene
SMILESCCCC=Cc1cccc(C)c1
InChIInChI=1S/C12H16/c1-3-4-5-8-12-9-6-7-11(2)10-12/h5-10H,3-4H2,1-2H3
InChIKeyMVPMEAVUUSNGFH-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-3-pent-1-enylbenzene

1-methyl-3-pent-1-enylbenzene (PubChem CID 54093666) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methyl-3-pent-1-enylbenzene.

Molecular Properties

Compound Name1-methyl-3-pent-1-enylbenzene
PubChem CID54093666
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-methyl-3-pent-1-enylbenzene
SMILESCCCC=Cc1cccc(C)c1
InChIInChI=1S/C12H16/c1-3-4-5-8-12-9-6-7-11(2)10-12/h5-10H,3-4H2,1-2H3
InChIKeyMVPMEAVUUSNGFH-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
ethane;1-[(E)-4-methoxybut-1-enyl]-3-methylbenzene
CID 143867253
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
1-[(Z)-pent-1-enyl]-3-phenylbenzene
CID 177453433
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
CID 141236827
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
CID 143867256
1-[(Z)-hex-2-enyl]-3-methylbenzene
CID 101190405
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
(E)-N-ethyl-2-methyl-7-(3-methylphenyl)hept-6-en-2-amine
CID 143806846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pent-1-enylbenzene?
The IUPAC name of 1-methyl-3-pent-1-enylbenzene (CID 54093666) is 1-methyl-3-pent-1-enylbenzene.
What is the SMILES notation for 1-methyl-3-pent-1-enylbenzene?
The canonical SMILES for 1-methyl-3-pent-1-enylbenzene is CCCC=Cc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-pent-1-enylbenzene?
The InChIKey is MVPMEAVUUSNGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-4-5-8-12-9-6-7-11(2)10-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-pent-1-enylbenzene?
1-methyl-3-pent-1-enylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pent-1-enylbenzene is sourced from PubChem (CID 54093666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).