2-(oxan-4-ylmethyl)cyclohexan-1-ol

C12H22O2 — CID 62386824

IUPAC2-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CC1CCOCC1
InChIInChI=1S/C12H22O2/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h10-13H,1-9H2
InChIKeyKOENSCDGDOKHIF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds2

About 2-(oxan-4-ylmethyl)cyclohexan-1-ol

2-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 62386824) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID62386824
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CC1CCOCC1
InChIInChI=1S/C12H22O2/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h10-13H,1-9H2
InChIKeyKOENSCDGDOKHIF-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 62386824) is 2-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(oxan-4-ylmethyl)cyclohexan-1-ol is OC1CCCCC1CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is KOENSCDGDOKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h10-13H,1-9H2.
What are the key properties of 2-(oxan-4-ylmethyl)cyclohexan-1-ol?
2-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 62386824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).