3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene

C24H34 — CID 164834348

IUPAC3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene
SMILESC=C(CCCC(C)C)c1ccc2c(CCCCC)cc(C)cc2c1
InChIInChI=1S/C24H34/c1-6-7-8-12-22-15-19(4)16-23-17-21(13-14-24(22)23)20(5)11-9-10-18(2)3/h13-18H,5-12H2,1-4H3
InChIKeyJMZHTALPYAUKSB-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.72
Rot. Bonds9

About 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene

3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene (PubChem CID 164834348) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene.

Molecular Properties

Compound Name3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene
PubChem CID164834348
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene
SMILESC=C(CCCC(C)C)c1ccc2c(CCCCC)cc(C)cc2c1
InChIInChI=1S/C24H34/c1-6-7-8-12-22-15-19(4)16-23-17-21(13-14-24(22)23)20(5)11-9-10-18(2)3/h13-18H,5-12H2,1-4H3
InChIKeyJMZHTALPYAUKSB-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4-but-1-en-2-yl-1-hexyl-2-methylbenzene
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1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
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2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
CID 91498311
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
5-[4-[4-(hydroxymethyl)pent-4-enyl]-7-(6-pentylnaphthalen-2-yl)naphthalen-2-yl]-2-methylidenepentan-1-ol
CID 135247884
4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline
CID 145262451
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
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1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene?
The IUPAC name of 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene (CID 164834348) is 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene.
What is the SMILES notation for 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene?
The canonical SMILES for 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene is C=C(CCCC(C)C)c1ccc2c(CCCCC)cc(C)cc2c1.
What is the InChIKey of 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene?
The InChIKey is JMZHTALPYAUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-6-7-8-12-22-15-19(4)16-23-17-21(13-14-24(22)23)20(5)11-9-10-18(2)3/h13-18H,5-12H2,1-4H3.
What are the key properties of 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene?
3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene has a molecular weight of 322.54 g/mol, XLogP of 7.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene is sourced from PubChem (CID 164834348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).