4-(hydroxymethyl)-1-methylcyclohexan-1-ol

C8H16O2 — CID 23263401

IUPAC4-(hydroxymethyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CO)CC1
InChIInChI=1S/C8H16O2/c1-8(10)4-2-7(6-9)3-5-8/h7,9-10H,2-6H2,1H3
InChIKeyVPONKVTVYYAINJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds1

About 4-(hydroxymethyl)-1-methylcyclohexan-1-ol

4-(hydroxymethyl)-1-methylcyclohexan-1-ol (PubChem CID 23263401) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methylcyclohexan-1-ol
PubChem CID23263401
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-(hydroxymethyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CO)CC1
InChIInChI=1S/C8H16O2/c1-8(10)4-2-7(6-9)3-5-8/h7,9-10H,2-6H2,1H3
InChIKeyVPONKVTVYYAINJ-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-1-methylcyclohexan-1-ol (CID 23263401) is 4-(hydroxymethyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-methylcyclohexan-1-ol is CC1(O)CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-methylcyclohexan-1-ol?
The InChIKey is VPONKVTVYYAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(10)4-2-7(6-9)3-5-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-methylcyclohexan-1-ol?
4-(hydroxymethyl)-1-methylcyclohexan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 23263401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).