3,5-dimethoxycyclohexan-1-ol

C8H16O3 — CID 547125

IUPAC3,5-dimethoxycyclohexan-1-ol
SMILESCOC1CC(O)CC(OC)C1
InChIInChI=1S/C8H16O3/c1-10-7-3-6(9)4-8(5-7)11-2/h6-9H,3-5H2,1-2H3
InChIKeyLGSMLWJSCSQCNV-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds2

About 3,5-dimethoxycyclohexan-1-ol

3,5-dimethoxycyclohexan-1-ol (PubChem CID 547125) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,5-dimethoxycyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethoxycyclohexan-1-ol
PubChem CID547125
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,5-dimethoxycyclohexan-1-ol
SMILESCOC1CC(O)CC(OC)C1
InChIInChI=1S/C8H16O3/c1-10-7-3-6(9)4-8(5-7)11-2/h6-9H,3-5H2,1-2H3
InChIKeyLGSMLWJSCSQCNV-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxycyclohexan-1-ol?
The IUPAC name of 3,5-dimethoxycyclohexan-1-ol (CID 547125) is 3,5-dimethoxycyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethoxycyclohexan-1-ol?
The canonical SMILES for 3,5-dimethoxycyclohexan-1-ol is COC1CC(O)CC(OC)C1.
What is the InChIKey of 3,5-dimethoxycyclohexan-1-ol?
The InChIKey is LGSMLWJSCSQCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-7-3-6(9)4-8(5-7)11-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethoxycyclohexan-1-ol?
3,5-dimethoxycyclohexan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxycyclohexan-1-ol is sourced from PubChem (CID 547125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).