[3-(oxan-2-yloxy)cyclohexyl]methanol

C12H22O3 — CID 68903321

IUPAC[3-(oxan-2-yloxy)cyclohexyl]methanol
SMILESOCC1CCCC(OC2CCCCO2)C1
InChIInChI=1S/C12H22O3/c13-9-10-4-3-5-11(8-10)15-12-6-1-2-7-14-12/h10-13H,1-9H2
InChIKeyCUPUTLUDNSBPHF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.08
Rot. Bonds3

About [3-(oxan-2-yloxy)cyclohexyl]methanol

[3-(oxan-2-yloxy)cyclohexyl]methanol (PubChem CID 68903321) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [3-(oxan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(oxan-2-yloxy)cyclohexyl]methanol
PubChem CID68903321
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[3-(oxan-2-yloxy)cyclohexyl]methanol
SMILESOCC1CCCC(OC2CCCCO2)C1
InChIInChI=1S/C12H22O3/c13-9-10-4-3-5-11(8-10)15-12-6-1-2-7-14-12/h10-13H,1-9H2
InChIKeyCUPUTLUDNSBPHF-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53326707
3-(1,3-Dioxolan-2-yl)cyclohexanol
CID 14296102
Cyclohexanemethanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, cis-
CID 15349886
2,4-Dimethyl-6-(oxan-2-yloxy)heptan-1-ol
CID 72775627
1-Cyclopropyl-4-(oxan-2-yloxy)butan-1-ol
CID 134895566
2-Pentyl-4-(tetrahydro-pyran-2-yloxy)-cyclohexanol
CID 559165
4-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]cyclohexanemethanol
CID 13181638
[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol
CID 14108198
2,4-Dimethyl-3-(oxan-2-yloxy)heptan-1-ol
CID 14280463
4-(1,3-Dioxan-2-yl)cyclohexan-1-ol
CID 19863168
[4-[3-(Oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol
CID 19937905
3-Cyclohexyl-1-(oxan-3-yloxy)propan-1-ol
CID 20200931

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [3-(oxan-2-yloxy)cyclohexyl]methanol (CID 68903321) is [3-(oxan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [3-(oxan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [3-(oxan-2-yloxy)cyclohexyl]methanol is OCC1CCCC(OC2CCCCO2)C1.
What is the InChIKey of [3-(oxan-2-yloxy)cyclohexyl]methanol?
The InChIKey is CUPUTLUDNSBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-9-10-4-3-5-11(8-10)15-12-6-1-2-7-14-12/h10-13H,1-9H2.
What are the key properties of [3-(oxan-2-yloxy)cyclohexyl]methanol?
[3-(oxan-2-yloxy)cyclohexyl]methanol has a molecular weight of 214.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 68903321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).