[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate

C19H30O3 — CID 102391718

IUPAC[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1CCC(=O)[C@@]1(C)CCC(=C)COC(=O)C(C)(C)C
InChIInChI=1S/C19H30O3/c1-7-8-15-9-10-16(20)19(15,6)12-11-14(2)13-22-17(21)18(3,4)5/h7,15H,1-2,8-13H2,3-6H3/t15-,19+/m1/s1
InChIKeyIEVHHPZOPPDFPF-BEFAXECRSA-N
MW306.45 g/mol
LogP4.47
Rot. Bonds7

About [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate

[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate (PubChem CID 102391718) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate
PubChem CID102391718
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1CCC(=O)[C@@]1(C)CCC(=C)COC(=O)C(C)(C)C
InChIInChI=1S/C19H30O3/c1-7-8-15-9-10-16(20)19(15,6)12-11-14(2)13-22-17(21)18(3,4)5/h7,15H,1-2,8-13H2,3-6H3/t15-,19+/m1/s1
InChIKeyIEVHHPZOPPDFPF-BEFAXECRSA-N
XLogP4.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate 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

[(3aR,5S,9E,12aS)-3a,10-dimethyl-6-methylidene-2-oxo-1-propan-2-ylidene-3,4,5,7,8,11,12,12a-octahydrocyclopenta[11]annulen-5-yl] acetate
CID 46833125
[(3aR,5E,9Z,12aS)-3a,6-dimethyl-2-oxo-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-10-yl]methyl acetate
CID 164615288
4-[(1R,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enyl acetate
CID 14682851
[(3aS,5E,9S,12aR)-3a,6-dimethyl-10-methylidene-2-oxo-1-propan-2-ylidene-3,4,7,8,9,11,12,12a-octahydrocyclopenta[11]annulen-9-yl] acetate
CID 14846146
cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
(4r)-4-Methoxycarbonylmethyl-1-[(1e,z)-2-methoxyethylidene]-5,5-dimethylcyclopentane
CID 12973041
methyl 2-[(1S,2S)-2-ethenyl-1-methyl-5-oxocyclopentyl]acetate
CID 15689885
Ethyl 2-(2-ethenyl-1-methyl-5-oxocyclopentyl)acetate
CID 134901193
[(1S,3aR,5E,9S,12aS)-3a,6-dimethyl-10-methylidene-3-oxo-1-prop-1-en-2-yl-2,4,7,8,9,11,12,12a-octahydro-1H-cyclopenta[11]annulen-9-yl] acetate
CID 70676027
But-3-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate
CID 129216291
Prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate
CID 129216338
prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
CID 140556868

Frequently Asked Questions

What is the IUPAC name of [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate (CID 102391718) is [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate is C=CC[C@@H]1CCC(=O)[C@@]1(C)CCC(=C)COC(=O)C(C)(C)C.
What is the InChIKey of [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate?
The InChIKey is IEVHHPZOPPDFPF-BEFAXECRSA-N. The full InChI is InChI=1S/C19H30O3/c1-7-8-15-9-10-16(20)19(15,6)12-11-14(2)13-22-17(21)18(3,4)5/h7,15H,1-2,8-13H2,3-6H3/t15-,19+/m1/s1.
What are the key properties of [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate?
[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate has a molecular weight of 306.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102391718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).