1-methyl-2-oct-4-en-4-ylbenzene

C15H22 — CID 86019229

IUPAC1-methyl-2-oct-4-en-4-ylbenzene
SMILESCCCC=C(CCC)c1ccccc1C
InChIInChI=1S/C15H22/c1-4-6-11-14(9-5-2)15-12-8-7-10-13(15)3/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyRVAFPGYKRAOEFJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds5

About 1-methyl-2-oct-4-en-4-ylbenzene

1-methyl-2-oct-4-en-4-ylbenzene (PubChem CID 86019229) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-2-oct-4-en-4-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-oct-4-en-4-ylbenzene
PubChem CID86019229
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-2-oct-4-en-4-ylbenzene
SMILESCCCC=C(CCC)c1ccccc1C
InChIInChI=1S/C15H22/c1-4-6-11-14(9-5-2)15-12-8-7-10-13(15)3/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyRVAFPGYKRAOEFJ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
CID 101134170
1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one
CID 166439009
2-[(E)-oct-4-en-4-yl]-1-oxidopyridin-1-ium
CID 101441912
1-[(E)-dec-5-en-5-yl]naphthalene
CID 14452097
1-(2-methylphenyl)hex-2-en-1-one
CID 66890387
2-hex-2-en-3-ylphenol
CID 57154775
(Z)-3-(2-methylphenyl)-2-propylhex-2-enal
CID 154824594
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
CID 102043111
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol
CID 145054234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oct-4-en-4-ylbenzene?
The IUPAC name of 1-methyl-2-oct-4-en-4-ylbenzene (CID 86019229) is 1-methyl-2-oct-4-en-4-ylbenzene.
What is the SMILES notation for 1-methyl-2-oct-4-en-4-ylbenzene?
The canonical SMILES for 1-methyl-2-oct-4-en-4-ylbenzene is CCCC=C(CCC)c1ccccc1C.
What is the InChIKey of 1-methyl-2-oct-4-en-4-ylbenzene?
The InChIKey is RVAFPGYKRAOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-6-11-14(9-5-2)15-12-8-7-10-13(15)3/h7-8,10-12H,4-6,9H2,1-3H3.
What are the key properties of 1-methyl-2-oct-4-en-4-ylbenzene?
1-methyl-2-oct-4-en-4-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oct-4-en-4-ylbenzene is sourced from PubChem (CID 86019229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).