[4-(oxan-4-yloxy)cyclohexyl]methanol

C12H22O3 — CID 106825450

IUPAC[4-(oxan-4-yloxy)cyclohexyl]methanol
SMILESOCC1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C12H22O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h10-13H,1-9H2
InChIKeyGCOGQGRGTRYSBY-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.73
Rot. Bonds3

About [4-(oxan-4-yloxy)cyclohexyl]methanol

[4-(oxan-4-yloxy)cyclohexyl]methanol (PubChem CID 106825450) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)cyclohexyl]methanol
PubChem CID106825450
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[4-(oxan-4-yloxy)cyclohexyl]methanol
SMILESOCC1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C12H22O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h10-13H,1-9H2
InChIKeyGCOGQGRGTRYSBY-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)cyclohexyl]methanol?
The IUPAC name of [4-(oxan-4-yloxy)cyclohexyl]methanol (CID 106825450) is [4-(oxan-4-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(oxan-4-yloxy)cyclohexyl]methanol?
The canonical SMILES for [4-(oxan-4-yloxy)cyclohexyl]methanol is OCC1CCC(OC2CCOCC2)CC1.
What is the InChIKey of [4-(oxan-4-yloxy)cyclohexyl]methanol?
The InChIKey is GCOGQGRGTRYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h10-13H,1-9H2.
What are the key properties of [4-(oxan-4-yloxy)cyclohexyl]methanol?
[4-(oxan-4-yloxy)cyclohexyl]methanol has a molecular weight of 214.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 106825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).