2-(hydroxymethoxy)cyclohexan-1-ol

C7H14O3 — CID 67785185

IUPAC2-(hydroxymethoxy)cyclohexan-1-ol
SMILESOCOC1CCCCC1O
InChIInChI=1S/C7H14O3/c8-5-10-7-4-2-1-3-6(7)9/h6-9H,1-5H2
InChIKeyCZORRRNJYYNKHX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.26
Rot. Bonds2

About 2-(hydroxymethoxy)cyclohexan-1-ol

2-(hydroxymethoxy)cyclohexan-1-ol (PubChem CID 67785185) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(hydroxymethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethoxy)cyclohexan-1-ol
PubChem CID67785185
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(hydroxymethoxy)cyclohexan-1-ol
SMILESOCOC1CCCCC1O
InChIInChI=1S/C7H14O3/c8-5-10-7-4-2-1-3-6(7)9/h6-9H,1-5H2
InChIKeyCZORRRNJYYNKHX-UHFFFAOYSA-N
XLogP0.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)cyclohexan-1-ol?
The IUPAC name of 2-(hydroxymethoxy)cyclohexan-1-ol (CID 67785185) is 2-(hydroxymethoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(hydroxymethoxy)cyclohexan-1-ol?
The canonical SMILES for 2-(hydroxymethoxy)cyclohexan-1-ol is OCOC1CCCCC1O.
What is the InChIKey of 2-(hydroxymethoxy)cyclohexan-1-ol?
The InChIKey is CZORRRNJYYNKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-5-10-7-4-2-1-3-6(7)9/h6-9H,1-5H2.
What are the key properties of 2-(hydroxymethoxy)cyclohexan-1-ol?
2-(hydroxymethoxy)cyclohexan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)cyclohexan-1-ol is sourced from PubChem (CID 67785185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).