(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate

C15H24O2 — CID 59815513

IUPAC(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2CC2)C=CCCC1
InChIInChI=1S/C15H24O2/c1-4-14(2,3)13(16)17-15(12-8-9-12)10-6-5-7-11-15/h6,10,12H,4-5,7-9,11H2,1-3H3
InChIKeyDBGAQFZCXWOSLW-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds4

About (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate

(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate (PubChem CID 59815513) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate
PubChem CID59815513
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2CC2)C=CCCC1
InChIInChI=1S/C15H24O2/c1-4-14(2,3)13(16)17-15(12-8-9-12)10-6-5-7-11-15/h6,10,12H,4-5,7-9,11H2,1-3H3
InChIKeyDBGAQFZCXWOSLW-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

(1-methylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate
CID 58937620
(1-cyclohexylcyclopentyl) 2,2-dimethylbutanoate;(1-ethylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate
CID 91140508
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(2-methyl-2-bicyclo[6.1.0]nonanyl) 2,2-dimethylbutanoate
CID 159689177
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(2-cyclohexyl-2-adamantyl) 2,2-dimethylbutanoate
CID 67473170
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
CID 159484078
methane;(1-methylcyclohex-3-en-1-yl) 2,2-dimethylbutanoate
CID 158051105
[(2R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] 2,2-dimethylbutanoate
CID 59923297
[(1S,2R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] 2,2-dimethylbutanoate
CID 59038763

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate?
The IUPAC name of (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate (CID 59815513) is (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C2CC2)C=CCCC1.
What is the InChIKey of (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate?
The InChIKey is DBGAQFZCXWOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-14(2,3)13(16)17-15(12-8-9-12)10-6-5-7-11-15/h6,10,12H,4-5,7-9,11H2,1-3H3.
What are the key properties of (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate?
(1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate has a molecular weight of 236.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 59815513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).