propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate

C14H22O2 — CID 20519531

IUPACpropan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1(CC2C=CCCC2)CC1
InChIInChI=1S/C14H22O2/c1-11(2)16-13(15)14(8-9-14)10-12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKeyASKSDSWUCNFEAQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds4

About propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate

propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate (PubChem CID 20519531) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate
PubChem CID20519531
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namepropan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1(CC2C=CCCC2)CC1
InChIInChI=1S/C14H22O2/c1-11(2)16-13(15)14(8-9-14)10-12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKeyASKSDSWUCNFEAQ-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate 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

cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
CID 167715364
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
1-cyclooct-2-en-1-yl-4-methylpentan-3-one
CID 123994582
1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
CID 101360407
dipropan-2-yl cyclopent-2-ene-1,1-dicarboxylate
CID 140996022
(1-cyclohex-2-en-1-yl-3-nitropropan-2-yl) acetate
CID 24977163
methyl (Z)-2-(2-cyclohex-2-en-1-ylethyl)-3-hydroxybut-2-enoate
CID 143238693
4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
CID 143238683
3-(2-methylpropyl)cycloheptene
CID 54543527
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
S-(cyclohex-2-en-1-ylmethyl) 2-aminoethanethioate
CID 123527787

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate (CID 20519531) is propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate is CC(C)OC(=O)C1(CC2C=CCCC2)CC1.
What is the InChIKey of propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate?
The InChIKey is ASKSDSWUCNFEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)16-13(15)14(8-9-14)10-12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3.
What are the key properties of propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate?
propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(cyclohex-2-en-1-ylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 20519531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).