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

C12H22O2 — CID 116928530

IUPAC4-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CC2CCOCC2)CC1
InChIInChI=1S/C12H22O2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h10-13H,1-9H2
InChIKeyNSUONZQHTWZIOJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds2

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

4-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 116928530) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID116928530
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CC2CCOCC2)CC1
InChIInChI=1S/C12H22O2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h10-13H,1-9H2
InChIKeyNSUONZQHTWZIOJ-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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Related Compounds

4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22644383
2-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 62386824
4-[(1-hydroxypiperidin-4-yl)methyl]cyclohexan-1-ol
CID 144521074
oxan-4-ylmethanol
CID 2773573
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
cyclohexane-1,4-diol
CID 11162
4-[(3-chlorocycloheptyl)methyl]oxane
CID 64508637
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 106131726
(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol
CID 130523739
oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892
oxepan-4-ylmethanol
CID 21094265

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 116928530) is 4-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(oxan-4-ylmethyl)cyclohexan-1-ol is OC1CCC(CC2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is NSUONZQHTWZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h10-13H,1-9H2.
What are the key properties of 4-(oxan-4-ylmethyl)cyclohexan-1-ol?
4-(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 4-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 116928530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).