4-(hydroxymethyl)cyclohexan-1-ol

C7H14O2 — CID 12892866

IUPAC4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)CC1
InChIInChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2
InChIKeyVGRZISGVNOKTQU-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.53
Rot. Bonds1

About 4-(hydroxymethyl)cyclohexan-1-ol

4-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 12892866) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)cyclohexan-1-ol
PubChem CID12892866
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)CC1
InChIInChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2
InChIKeyVGRZISGVNOKTQU-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)cyclohexan-1-ol (CID 12892866) is 4-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)cyclohexan-1-ol is OCC1CCC(O)CC1.
What is the InChIKey of 4-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is VGRZISGVNOKTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2.
What are the key properties of 4-(hydroxymethyl)cyclohexan-1-ol?
4-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 12892866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).