4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene

C24H40O — CID 57187118

IUPAC4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene
SMILESCCCCCC1(CCc2ccc(OCCCC)cc2C)CCCCC1
InChIInChI=1S/C24H40O/c1-4-6-9-15-24(16-10-8-11-17-24)18-14-22-12-13-23(20-21(22)3)25-19-7-5-2/h12-13,20H,4-11,14-19H2,1-3H3
InChIKeyRCUZAFXXXWJJDI-UHFFFAOYSA-N
MW344.58 g/mol
LogP7.64
Rot. Bonds11

About 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene

4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene (PubChem CID 57187118) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene
PubChem CID57187118
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene
SMILESCCCCCC1(CCc2ccc(OCCCC)cc2C)CCCCC1
InChIInChI=1S/C24H40O/c1-4-6-9-15-24(16-10-8-11-17-24)18-14-22-12-13-23(20-21(22)3)25-19-7-5-2/h12-13,20H,4-11,14-19H2,1-3H3
InChIKeyRCUZAFXXXWJJDI-UHFFFAOYSA-N
XLogP7.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
CID 57087984
4-ethoxy-2-fluoro-1-[2-(1-pentylcyclohexyl)ethyl]benzene
CID 57136111
2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]-1-pentylbenzene
CID 57180466
2-[2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]phenyl]-5-octoxypyrimidine
CID 57125806
1,1-dipentylcyclononane
CID 169026027
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
CID 123147082
1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
CID 57060475
1,1-dioctylcyclopentane
CID 54295272
1,1-di(nonyl)cyclopentane
CID 154318487
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
1-(2-methyl-4-propoxyphenyl)heptan-4-one
CID 83936884

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene?
The IUPAC name of 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene (CID 57187118) is 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene?
The canonical SMILES for 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene is CCCCCC1(CCc2ccc(OCCCC)cc2C)CCCCC1.
What is the InChIKey of 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene?
The InChIKey is RCUZAFXXXWJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-4-6-9-15-24(16-10-8-11-17-24)18-14-22-12-13-23(20-21(22)3)25-19-7-5-2/h12-13,20H,4-11,14-19H2,1-3H3.
What are the key properties of 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene?
4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene has a molecular weight of 344.58 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-methyl-1-[2-(1-pentylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 57187118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).