(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate

C15H24O2 — CID 122533336

IUPAC(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCCC(C)(C)C1
InChIInChI=1S/C15H24O2/c1-11(2)13(16)17-15(12-6-7-12)9-5-8-14(3,4)10-15/h12H,1,5-10H2,2-4H3
InChIKeyLQSVJTZOWGPGFU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds3

About (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate

(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 122533336) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
PubChem CID122533336
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCCC(C)(C)C1
InChIInChI=1S/C15H24O2/c1-11(2)13(16)17-15(12-6-7-12)9-5-8-14(3,4)10-15/h12H,1,5-10H2,2-4H3
InChIKeyLQSVJTZOWGPGFU-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate 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-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
CID 122533437
(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
[4-(2-bicyclo[2.2.1]heptanyl)spiro[4.4]nonan-4-yl] 2-methylprop-2-enoate
CID 122533403
[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58734431
(2-cyclohexyl-1-adamantyl) 2-methylprop-2-enoate
CID 156808490
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate (CID 122533336) is (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CC2)CCCC(C)(C)C1.
What is the InChIKey of (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is LQSVJTZOWGPGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)13(16)17-15(12-6-7-12)9-5-8-14(3,4)10-15/h12H,1,5-10H2,2-4H3.
What are the key properties of (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate?
(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 122533336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).