diethyl 2-nona-2,3-dienylpropanedioate

C16H26O4 — CID 102302827

IUPACdiethyl 2-nona-2,3-dienylpropanedioate
SMILESCCCCCC=C=CCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H26O4/c1-4-7-8-9-10-11-12-13-14(15(17)19-5-2)16(18)20-6-3/h10,12,14H,4-9,13H2,1-3H3
InChIKeySOZHWMMTUPUPES-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.41
Rot. Bonds10

About diethyl 2-nona-2,3-dienylpropanedioate

diethyl 2-nona-2,3-dienylpropanedioate (PubChem CID 102302827) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is diethyl 2-nona-2,3-dienylpropanedioate.

Molecular Properties

Compound Namediethyl 2-nona-2,3-dienylpropanedioate
PubChem CID102302827
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namediethyl 2-nona-2,3-dienylpropanedioate
SMILESCCCCCC=C=CCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H26O4/c1-4-7-8-9-10-11-12-13-14(15(17)19-5-2)16(18)20-6-3/h10,12,14H,4-9,13H2,1-3H3
InChIKeySOZHWMMTUPUPES-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.41
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'}

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Related Compounds

Diethyl allylmalonate
CID 74900
Diethyl 2-(3-butenyl)malonate
CID 594682
Diethyl (E)-(3,7-dimethyl-2,6-octadienyl)malonate
CID 6436518
Prop-2-enyl-propanedioic acid dibutyl ester
CID 53662645
Diethyl 2-(1-methyl-2-propenyl)malonate
CID 533777
Diethyl 2-[(2E)-2,7-octadienyl]malonate
CID 5466562
Diethyl bis(2,3-butadienyl)malonate
CID 11414389
Propanedioic acid, 2,3-butadienyl-, dimethyl ester
CID 11446741
Dimethyl 2-(4-methylpenta-2,3-dienyl)propanedioate
CID 13896830
Propanedioic acid, (1,1-dimethyl-2-propenyl)-, diethyl ester
CID 11009713
Diethyl farnesylmalonate
CID 54248194
Bis(2-methylpropyl) 2-fluoro-2-prop-2-enylpropanedioate
CID 171777583

Frequently Asked Questions

What is the IUPAC name of diethyl 2-nona-2,3-dienylpropanedioate?
The IUPAC name of diethyl 2-nona-2,3-dienylpropanedioate (CID 102302827) is diethyl 2-nona-2,3-dienylpropanedioate.
What is the SMILES notation for diethyl 2-nona-2,3-dienylpropanedioate?
The canonical SMILES for diethyl 2-nona-2,3-dienylpropanedioate is CCCCCC=C=CCC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-nona-2,3-dienylpropanedioate?
The InChIKey is SOZHWMMTUPUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-4-7-8-9-10-11-12-13-14(15(17)19-5-2)16(18)20-6-3/h10,12,14H,4-9,13H2,1-3H3.
What are the key properties of diethyl 2-nona-2,3-dienylpropanedioate?
diethyl 2-nona-2,3-dienylpropanedioate has a molecular weight of 282.38 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-nona-2,3-dienylpropanedioate is sourced from PubChem (CID 102302827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).