[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol

C19H36O — CID 19899859

IUPAC[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CCC2CCC(CO)CC2)CC1
InChIInChI=1S/C19H36O/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h16-20H,2-15H2,1H3
InChIKeyPDFTZAYWLRNFBL-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.56
Rot. Bonds7

About [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol

[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol (PubChem CID 19899859) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
PubChem CID19899859
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CCC2CCC(CO)CC2)CC1
InChIInChI=1S/C19H36O/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h16-20H,2-15H2,1H3
InChIKeyPDFTZAYWLRNFBL-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899796
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
3-[4-(hydroxymethyl)cyclohexyl]propan-1-ol
CID 56606356
hexane;pentylcyclopropane
CID 159592467
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol (CID 19899859) is [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol is CCCCC1CCC(CCC2CCC(CO)CC2)CC1.
What is the InChIKey of [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol?
The InChIKey is PDFTZAYWLRNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h16-20H,2-15H2,1H3.
What are the key properties of [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol?
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol has a molecular weight of 280.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 19899859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).