1-(4-cyclohexylbutan-2-yl)-2-propylbenzene

C19H30 — CID 142148571

IUPAC1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
SMILESCCCc1ccccc1C(C)CCC1CCCCC1
InChIInChI=1S/C19H30/c1-3-9-18-12-7-8-13-19(18)16(2)14-15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,3-6,9-11,14-15H2,1-2H3
InChIKeyDYSMFWSWNOVNFO-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.10
Rot. Bonds6

About 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene

1-(4-cyclohexylbutan-2-yl)-2-propylbenzene (PubChem CID 142148571) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene.

Molecular Properties

Compound Name1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
PubChem CID142148571
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
SMILESCCCc1ccccc1C(C)CCC1CCCCC1
InChIInChI=1S/C19H30/c1-3-9-18-12-7-8-13-19(18)16(2)14-15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,3-6,9-11,14-15H2,1-2H3
InChIKeyDYSMFWSWNOVNFO-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene
CID 157388157
ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
CID 167540027
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
N-methyl-2-(2-propylphenyl)propan-1-amine
CID 105425339
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
CID 21279033
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene?
The IUPAC name of 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene (CID 142148571) is 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene.
What is the SMILES notation for 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene?
The canonical SMILES for 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene is CCCc1ccccc1C(C)CCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene?
The InChIKey is DYSMFWSWNOVNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-3-9-18-12-7-8-13-19(18)16(2)14-15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,3-6,9-11,14-15H2,1-2H3.
What are the key properties of 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene?
1-(4-cyclohexylbutan-2-yl)-2-propylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutan-2-yl)-2-propylbenzene is sourced from PubChem (CID 142148571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).