3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane

C14H28O2 — CID 14817848

IUPAC3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane
SMILESCCOC(C)(OCC)C1CCCC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-6-15-14(5,16-7-2)12-9-8-10-13(3,4)11-12/h12H,6-11H2,1-5H3
InChIKeyQJTDNTNGXHWUNK-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.99
Rot. Bonds5

About 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane

3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane (PubChem CID 14817848) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane
PubChem CID14817848
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane
SMILESCCOC(C)(OCC)C1CCCC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-6-15-14(5,16-7-2)12-9-8-10-13(3,4)11-12/h12H,6-11H2,1-5H3
InChIKeyQJTDNTNGXHWUNK-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane 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 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane (CID 14817848) is 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane is CCOC(C)(OCC)C1CCCC(C)(C)C1.
What is the InChIKey of 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane?
The InChIKey is QJTDNTNGXHWUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-15-14(5,16-7-2)12-9-8-10-13(3,4)11-12/h12H,6-11H2,1-5H3.
What are the key properties of 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane?
3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diethoxyethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 14817848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).