[3-(cyclohexylmethyl)oxolan-3-yl]methanol

C12H22O2 — CID 66060066

IUPAC[3-(cyclohexylmethyl)oxolan-3-yl]methanol
SMILESOCC1(CC2CCCCC2)CCOC1
InChIInChI=1S/C12H22O2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h11,13H,1-10H2
InChIKeyRSXBWZGXCCFJCS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.36
Rot. Bonds3

About [3-(cyclohexylmethyl)oxolan-3-yl]methanol

[3-(cyclohexylmethyl)oxolan-3-yl]methanol (PubChem CID 66060066) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)oxolan-3-yl]methanol
PubChem CID66060066
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[3-(cyclohexylmethyl)oxolan-3-yl]methanol
SMILESOCC1(CC2CCCCC2)CCOC1
InChIInChI=1S/C12H22O2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h11,13H,1-10H2
InChIKeyRSXBWZGXCCFJCS-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
CID 130135695
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol
CID 163878280
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
[4-(cyclopentylmethyl)piperidin-4-yl]methanol
CID 66025861

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)oxolan-3-yl]methanol?
The IUPAC name of [3-(cyclohexylmethyl)oxolan-3-yl]methanol (CID 66060066) is [3-(cyclohexylmethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclohexylmethyl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(cyclohexylmethyl)oxolan-3-yl]methanol is OCC1(CC2CCCCC2)CCOC1.
What is the InChIKey of [3-(cyclohexylmethyl)oxolan-3-yl]methanol?
The InChIKey is RSXBWZGXCCFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h11,13H,1-10H2.
What are the key properties of [3-(cyclohexylmethyl)oxolan-3-yl]methanol?
[3-(cyclohexylmethyl)oxolan-3-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 66060066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).