1-methyl-2-oct-7-enylbenzene

C15H22 — CID 18786509

IUPAC1-methyl-2-oct-7-enylbenzene
SMILESC=CCCCCCCc1ccccc1C
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3,9-11,13H,1,4-8,12H2,2H3
InChIKeyCUAUZDLXBNQUSO-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.67
Rot. Bonds7

About 1-methyl-2-oct-7-enylbenzene

1-methyl-2-oct-7-enylbenzene (PubChem CID 18786509) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-2-oct-7-enylbenzene.

Molecular Properties

Compound Name1-methyl-2-oct-7-enylbenzene
PubChem CID18786509
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-2-oct-7-enylbenzene
SMILESC=CCCCCCCc1ccccc1C
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3,9-11,13H,1,4-8,12H2,2H3
InChIKeyCUAUZDLXBNQUSO-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-hex-5-enyl-2-propylbenzene
CID 18786540
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
2-hept-6-enyl-N-methylaniline
CID 166715276
1-non-8-enylnaphthalene
CID 101304361
1-methyl-2-pentylbenzene
CID 524553
CID 19904535
CID 19904535
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-butoxy-2-non-8-enylbenzene
CID 18786588
hept-6-enylbenzene
CID 15608161
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
CID 173152052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oct-7-enylbenzene?
The IUPAC name of 1-methyl-2-oct-7-enylbenzene (CID 18786509) is 1-methyl-2-oct-7-enylbenzene.
What is the SMILES notation for 1-methyl-2-oct-7-enylbenzene?
The canonical SMILES for 1-methyl-2-oct-7-enylbenzene is C=CCCCCCCc1ccccc1C.
What is the InChIKey of 1-methyl-2-oct-7-enylbenzene?
The InChIKey is CUAUZDLXBNQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h3,9-11,13H,1,4-8,12H2,2H3.
What are the key properties of 1-methyl-2-oct-7-enylbenzene?
1-methyl-2-oct-7-enylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oct-7-enylbenzene is sourced from PubChem (CID 18786509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).