[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol

C17H32O2 — CID 66026294

IUPAC[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCC2CCCO2)CC1
InChIInChI=1S/C17H32O2/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h15-16,18H,2-14H2,1H3
InChIKeyAMSUXZIPQYZKHJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.30
Rot. Bonds7

About [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol

[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol (PubChem CID 66026294) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
PubChem CID66026294
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCC2CCCO2)CC1
InChIInChI=1S/C17H32O2/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h15-16,18H,2-14H2,1H3
InChIKeyAMSUXZIPQYZKHJ-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63521135
2-butyloxolane;pentylcyclopentane
CID 143579314
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
2-tetradecyloxolane
CID 10683364
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol (CID 66026294) is [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol is CCCCC1CCC(CO)(CCC2CCCO2)CC1.
What is the InChIKey of [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol?
The InChIKey is AMSUXZIPQYZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h15-16,18H,2-14H2,1H3.
What are the key properties of [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol?
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 66026294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).