1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride

C11H19ClO — CID 156649181

IUPAC1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
SMILESCC1CCCC(C)(C(=O)Cl)C1(C)C
InChIInChI=1S/C11H19ClO/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3
InChIKeyXFAGDDPNNFCGEJ-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.60
Rot. Bonds1

About 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride

1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride (PubChem CID 156649181) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
PubChem CID156649181
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
SMILESCC1CCCC(C)(C(=O)Cl)C1(C)C
InChIInChI=1S/C11H19ClO/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3
InChIKeyXFAGDDPNNFCGEJ-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride 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 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride?
The IUPAC name of 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride (CID 156649181) is 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride.
What is the SMILES notation for 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride?
The canonical SMILES for 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride is CC1CCCC(C)(C(=O)Cl)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride?
The InChIKey is XFAGDDPNNFCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-8-6-5-7-11(4,9(12)13)10(8,2)3/h8H,5-7H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride?
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride has a molecular weight of 202.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride is sourced from PubChem (CID 156649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).