[4-(oxan-2-yloxymethyl)cyclohexyl]methanol

C13H24O3 — CID 13181638

IUPAC[4-(oxan-2-yloxymethyl)cyclohexyl]methanol
SMILESOCC1CCC(COC2CCCCO2)CC1
InChIInChI=1S/C13H24O3/c14-9-11-4-6-12(7-5-11)10-16-13-3-1-2-8-15-13/h11-14H,1-10H2
InChIKeyCRLAWZVUSDCWMZ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.33
Rot. Bonds4

About [4-(oxan-2-yloxymethyl)cyclohexyl]methanol

[4-(oxan-2-yloxymethyl)cyclohexyl]methanol (PubChem CID 13181638) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is [4-(oxan-2-yloxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(oxan-2-yloxymethyl)cyclohexyl]methanol
PubChem CID13181638
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name[4-(oxan-2-yloxymethyl)cyclohexyl]methanol
SMILESOCC1CCC(COC2CCCCO2)CC1
InChIInChI=1S/C13H24O3/c14-9-11-4-6-12(7-5-11)10-16-13-3-1-2-8-15-13/h11-14H,1-10H2
InChIKeyCRLAWZVUSDCWMZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxymethyl)cyclohexyl]methanol?
The IUPAC name of [4-(oxan-2-yloxymethyl)cyclohexyl]methanol (CID 13181638) is [4-(oxan-2-yloxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(oxan-2-yloxymethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(oxan-2-yloxymethyl)cyclohexyl]methanol is OCC1CCC(COC2CCCCO2)CC1.
What is the InChIKey of [4-(oxan-2-yloxymethyl)cyclohexyl]methanol?
The InChIKey is CRLAWZVUSDCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-9-11-4-6-12(7-5-11)10-16-13-3-1-2-8-15-13/h11-14H,1-10H2.
What are the key properties of [4-(oxan-2-yloxymethyl)cyclohexyl]methanol?
[4-(oxan-2-yloxymethyl)cyclohexyl]methanol has a molecular weight of 228.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 13181638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).