1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene

C19H30 — CID 157388157

IUPAC1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1CCCCC1CCCCC1
InChIInChI=1S/C19H30/c1-16(2)19-15-9-8-14-18(19)13-7-6-12-17-10-4-3-5-11-17/h8-9,14-17H,3-7,10-13H2,1-2H3
InChIKeyBLRHJCDQDQQVTB-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.10
Rot. Bonds6

About 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene

1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene (PubChem CID 157388157) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene
PubChem CID157388157
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1CCCCC1CCCCC1
InChIInChI=1S/C19H30/c1-16(2)19-15-9-8-14-18(19)13-7-6-12-17-10-4-3-5-11-17/h8-9,14-17H,3-7,10-13H2,1-2H3
InChIKeyBLRHJCDQDQQVTB-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

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
CID 142148571
1-[2-(4-cyclohexylbutyl)phenyl]ethanone
CID 102374896
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
5-(2-propan-2-ylphenyl)pentanenitrile
CID 141013076
1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687
1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
CID 143070757
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
2-[2-(4-cyclohexylbutyl)benzoyl]oxyacetic acid
CID 141194857
4-cyclopentylbutylcyclohexane
CID 144547696
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene (CID 157388157) is 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene is CC(C)c1ccccc1CCCCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene?
The InChIKey is BLRHJCDQDQQVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-16(2)19-15-9-8-14-18(19)13-7-6-12-17-10-4-3-5-11-17/h8-9,14-17H,3-7,10-13H2,1-2H3.
What are the key properties of 1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene?
1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene 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-cyclohexylbutyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 157388157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).