(5-methyl-2-propan-2-ylidenecyclohexyl) acetate

C12H20O2 — CID 6427500

IUPAC(5-methyl-2-propan-2-ylidenecyclohexyl) acetate
SMILESCC(=O)OC1CC(C)CCC1=C(C)C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3
InChIKeyZAPTZQHAWAYFSW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds1

About (5-methyl-2-propan-2-ylidenecyclohexyl) acetate

(5-methyl-2-propan-2-ylidenecyclohexyl) acetate (PubChem CID 6427500) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylidenecyclohexyl) acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylidenecyclohexyl) acetate
PubChem CID6427500
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5-methyl-2-propan-2-ylidenecyclohexyl) acetate
SMILESCC(=O)OC1CC(C)CCC1=C(C)C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3
InChIKeyZAPTZQHAWAYFSW-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-methyl-2-propan-2-ylidenecyclohexyl) acetate 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 (5-methyl-2-propan-2-ylidenecyclohexyl) acetate?
The IUPAC name of (5-methyl-2-propan-2-ylidenecyclohexyl) acetate (CID 6427500) is (5-methyl-2-propan-2-ylidenecyclohexyl) acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylidenecyclohexyl) acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylidenecyclohexyl) acetate is CC(=O)OC1CC(C)CCC1=C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylidenecyclohexyl) acetate?
The InChIKey is ZAPTZQHAWAYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylidenecyclohexyl) acetate?
(5-methyl-2-propan-2-ylidenecyclohexyl) acetate has a molecular weight of 196.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylidenecyclohexyl) acetate is sourced from PubChem (CID 6427500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).