2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol

C10H20O2 — CID 23443116

IUPAC2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
SMILESCC(O)C1CC(C)C(C)CC1O
InChIInChI=1S/C10H20O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h6-12H,4-5H2,1-3H3
InChIKeyKOHGUMUXBXYMCZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds1

About 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol

2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol (PubChem CID 23443116) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
PubChem CID23443116
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
SMILESCC(O)C1CC(C)C(C)CC1O
InChIInChI=1S/C10H20O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h6-12H,4-5H2,1-3H3
InChIKeyKOHGUMUXBXYMCZ-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol (CID 23443116) is 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol is CC(O)C1CC(C)C(C)CC1O.
What is the InChIKey of 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol?
The InChIKey is KOHGUMUXBXYMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol?
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 23443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).