2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol

C10H20O2 — CID 130122085

IUPAC2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CCC(CO)C(C)(O)C1
InChIInChI=1S/C10H20O2/c1-9(2)5-4-8(6-11)10(3,12)7-9/h8,11-12H,4-7H2,1-3H3
InChIKeyHLJYIDBXFLHPRI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.56
Rot. Bonds1

About 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol

2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol (PubChem CID 130122085) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
PubChem CID130122085
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CCC(CO)C(C)(O)C1
InChIInChI=1S/C10H20O2/c1-9(2)5-4-8(6-11)10(3,12)7-9/h8,11-12H,4-7H2,1-3H3
InChIKeyHLJYIDBXFLHPRI-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol (CID 130122085) is 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol is CC1(C)CCC(CO)C(C)(O)C1.
What is the InChIKey of 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol?
The InChIKey is HLJYIDBXFLHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-4-8(6-11)10(3,12)7-9/h8,11-12H,4-7H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol?
2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 130122085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).