1-methyl-4-(5-methylhex-2-enyl)benzene

C14H20 — CID 91610142

IUPAC1-methyl-4-(5-methylhex-2-enyl)benzene
SMILESCc1ccc(CC=CCC(C)C)cc1
InChIInChI=1S/C14H20/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14/h4-5,8-12H,6-7H2,1-3H3
InChIKeyHHGJFANYXCCHPD-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.14
Rot. Bonds4

About 1-methyl-4-(5-methylhex-2-enyl)benzene

1-methyl-4-(5-methylhex-2-enyl)benzene (PubChem CID 91610142) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methyl-4-(5-methylhex-2-enyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(5-methylhex-2-enyl)benzene
PubChem CID91610142
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-methyl-4-(5-methylhex-2-enyl)benzene
SMILESCc1ccc(CC=CCC(C)C)cc1
InChIInChI=1S/C14H20/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14/h4-5,8-12H,6-7H2,1-3H3
InChIKeyHHGJFANYXCCHPD-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-hex-2-enyl-4-methylbenzene
CID 54148468
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
CID 101206039
6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene
CID 123992620
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
CID 6445393
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
(E)-4-(4-methylphenyl)but-2-enamide
CID 131236926
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
[(E)-5,9-dimethyldec-2-enyl]benzene
CID 173380139

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylhex-2-enyl)benzene?
The IUPAC name of 1-methyl-4-(5-methylhex-2-enyl)benzene (CID 91610142) is 1-methyl-4-(5-methylhex-2-enyl)benzene.
What is the SMILES notation for 1-methyl-4-(5-methylhex-2-enyl)benzene?
The canonical SMILES for 1-methyl-4-(5-methylhex-2-enyl)benzene is Cc1ccc(CC=CCC(C)C)cc1.
What is the InChIKey of 1-methyl-4-(5-methylhex-2-enyl)benzene?
The InChIKey is HHGJFANYXCCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14/h4-5,8-12H,6-7H2,1-3H3.
What are the key properties of 1-methyl-4-(5-methylhex-2-enyl)benzene?
1-methyl-4-(5-methylhex-2-enyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylhex-2-enyl)benzene is sourced from PubChem (CID 91610142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).