1-(3,3-dimethylcyclohexyl)ethanol;formic acid

C11H22O3 — CID 68982263

IUPAC1-(3,3-dimethylcyclohexyl)ethanol;formic acid
SMILESCC(O)C1CCCC(C)(C)C1.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-8(11)9-5-4-6-10(2,3)7-9;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyQOEIPVXQYUWDJT-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.28
Rot. Bonds1

About 1-(3,3-dimethylcyclohexyl)ethanol;formic acid

1-(3,3-dimethylcyclohexyl)ethanol;formic acid (PubChem CID 68982263) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)ethanol;formic acid.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)ethanol;formic acid
PubChem CID68982263
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-(3,3-dimethylcyclohexyl)ethanol;formic acid
SMILESCC(O)C1CCCC(C)(C)C1.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-8(11)9-5-4-6-10(2,3)7-9;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyQOEIPVXQYUWDJT-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(3,3-dimethylcyclohexyl)ethanol;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)ethanol;formic acid?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)ethanol;formic acid (CID 68982263) is 1-(3,3-dimethylcyclohexyl)ethanol;formic acid.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)ethanol;formic acid?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)ethanol;formic acid is CC(O)C1CCCC(C)(C)C1.O=CO.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)ethanol;formic acid?
The InChIKey is QOEIPVXQYUWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH2O2/c1-8(11)9-5-4-6-10(2,3)7-9;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3).
What are the key properties of 1-(3,3-dimethylcyclohexyl)ethanol;formic acid?
1-(3,3-dimethylcyclohexyl)ethanol;formic acid has a molecular weight of 202.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)ethanol;formic acid is sourced from PubChem (CID 68982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).