1-(5-cyclohexylpentyl)-3-ethylbenzene

C19H30 — CID 91406519

IUPAC1-(5-cyclohexylpentyl)-3-ethylbenzene
SMILESCCc1cccc(CCCCCC2CCCCC2)c1
InChIInChI=1S/C19H30/c1-2-17-14-9-15-19(16-17)13-8-4-7-12-18-10-5-3-6-11-18/h9,14-16,18H,2-8,10-13H2,1H3
InChIKeyPSOYTKXOLCSPHZ-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.93
Rot. Bonds7

About 1-(5-cyclohexylpentyl)-3-ethylbenzene

1-(5-cyclohexylpentyl)-3-ethylbenzene (PubChem CID 91406519) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(5-cyclohexylpentyl)-3-ethylbenzene.

Molecular Properties

Compound Name1-(5-cyclohexylpentyl)-3-ethylbenzene
PubChem CID91406519
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-(5-cyclohexylpentyl)-3-ethylbenzene
SMILESCCc1cccc(CCCCCC2CCCCC2)c1
InChIInChI=1S/C19H30/c1-2-17-14-9-15-19(16-17)13-8-4-7-12-18-10-5-3-6-11-18/h9,14-16,18H,2-8,10-13H2,1H3
InChIKeyPSOYTKXOLCSPHZ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.93
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

1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
CID 166650675
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266
5-cyclopropylpentylbenzene
CID 91089836
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920
1,3-bis(2-cyclopropylethyl)-5-methylbenzene;1-(3-cyclopropylpropyl)-3-pentylbenzene
CID 170966148
4-cyclopropylbutylbenzene
CID 10261592
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexylpentyl)-3-ethylbenzene?
The IUPAC name of 1-(5-cyclohexylpentyl)-3-ethylbenzene (CID 91406519) is 1-(5-cyclohexylpentyl)-3-ethylbenzene.
What is the SMILES notation for 1-(5-cyclohexylpentyl)-3-ethylbenzene?
The canonical SMILES for 1-(5-cyclohexylpentyl)-3-ethylbenzene is CCc1cccc(CCCCCC2CCCCC2)c1.
What is the InChIKey of 1-(5-cyclohexylpentyl)-3-ethylbenzene?
The InChIKey is PSOYTKXOLCSPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-2-17-14-9-15-19(16-17)13-8-4-7-12-18-10-5-3-6-11-18/h9,14-16,18H,2-8,10-13H2,1H3.
What are the key properties of 1-(5-cyclohexylpentyl)-3-ethylbenzene?
1-(5-cyclohexylpentyl)-3-ethylbenzene has a molecular weight of 258.45 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexylpentyl)-3-ethylbenzene is sourced from PubChem (CID 91406519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).