dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate

C16H26O4 — CID 11312093

IUPACdimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate
SMILESC=C=C(CCCCCC)C(C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O4/c1-6-8-9-10-11-13(7-2)12(3)14(15(17)19-4)16(18)20-5/h12,14H,2,6,8-11H2,1,3-5H3
InChIKeyZONFSOLMKWTSOV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.27
Rot. Bonds9

About dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate

dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate (PubChem CID 11312093) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate
PubChem CID11312093
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namedimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate
SMILESC=C=C(CCCCCC)C(C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O4/c1-6-8-9-10-11-13(7-2)12(3)14(15(17)19-4)16(18)20-5/h12,14H,2,6,8-11H2,1,3-5H3
InChIKeyZONFSOLMKWTSOV-UHFFFAOYSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate 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

Dimethyl 2-[(1R,2R,5R)-(2-isopropenyl-5-methylcyclohexyl)]propanedioate
CID 13585516
dimethyl 2-[(1S)-1-cyclohexylprop-2-enyl]-2-fluoropropanedioate
CID 134967704
Diethyl 2-(4,5-dimethyl-2-methylidenehex-4-enyl)propanedioate
CID 12023810
Dimethyl 2-(2-methylenecyclohexyl)malonate
CID 13095670
Diethyl 2-(undecylenyl)malonate
CID 19738367
Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate
CID 585874
Dimethyl 2-hex-5-enylpropanedioate
CID 14248108
Diethyl 2-(4-methylpent-4-enyl)propanedioate
CID 15529233
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
dimethyl 2-[(1R)-cyclohept-2-en-1-yl]propanedioate
CID 11064135
Ditert-butyl 2-(4-methylpent-4-enyl)propanedioate
CID 11347065
dimethyl 2-[(1R,2S)-2-butylcyclopent-3-en-1-yl]propanedioate
CID 11448184

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate?
The IUPAC name of dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate (CID 11312093) is dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate.
What is the SMILES notation for dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate?
The canonical SMILES for dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate is C=C=C(CCCCCC)C(C)C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate?
The InChIKey is ZONFSOLMKWTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-6-8-9-10-11-13(7-2)12(3)14(15(17)19-4)16(18)20-5/h12,14H,2,6,8-11H2,1,3-5H3.
What are the key properties of dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate?
dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate has a molecular weight of 282.38 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-ethenylidenenonan-2-yl)propanedioate is sourced from PubChem (CID 11312093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).