dimethyl 2-[(Z)-non-4-enyl]propanedioate

C14H24O4 — CID 102409806

IUPACdimethyl 2-[(Z)-non-4-enyl]propanedioate
SMILESCCCC/C=C\CCCC(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-12(13(15)17-2)14(16)18-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
InChIKeyWJUMHPZBVDMFTI-FPLPWBNLSA-N
MW256.34 g/mol
LogP2.87
Rot. Bonds9

About dimethyl 2-[(Z)-non-4-enyl]propanedioate

dimethyl 2-[(Z)-non-4-enyl]propanedioate (PubChem CID 102409806) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is dimethyl 2-[(Z)-non-4-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-non-4-enyl]propanedioate
PubChem CID102409806
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namedimethyl 2-[(Z)-non-4-enyl]propanedioate
SMILESCCCC/C=C\CCCC(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-12(13(15)17-2)14(16)18-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
InChIKeyWJUMHPZBVDMFTI-FPLPWBNLSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.87
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl rhodinolate
CID 61290
Diethyl 2-cyclopenten-1-ylmalonate
CID 96203
Methyl cyclohex-2-ene-1-carboxylate
CID 11007985
Diethyl 2-(3-butenyl)malonate
CID 594682
Methyl (E)-8-methylnon-6-enoate
CID 6442809
Methyl (3R)-3,7-dimethyloct-6-enoate
CID 10976170
Methyl (3S)-3,7-dimethyloct-6-enoate
CID 11745305
Diethyl 2-pent-4-enylpropanedioate
CID 361718
Methyl (Z)-8-methylnon-6-enoate
CID 6442805
methyl (2R)-2,7-dimethyloct-6-enoate
CID 163009702
Methyl cyclopent-2-ene-1-acetate
CID 89261
Diethyl 2-(3-methylbut-3-enyl)propanedioate
CID 10751827

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-non-4-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-non-4-enyl]propanedioate (CID 102409806) is dimethyl 2-[(Z)-non-4-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-non-4-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-non-4-enyl]propanedioate is CCCC/C=C\CCCC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-non-4-enyl]propanedioate?
The InChIKey is WJUMHPZBVDMFTI-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-12(13(15)17-2)14(16)18-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-.
What are the key properties of dimethyl 2-[(Z)-non-4-enyl]propanedioate?
dimethyl 2-[(Z)-non-4-enyl]propanedioate has a molecular weight of 256.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-non-4-enyl]propanedioate is sourced from PubChem (CID 102409806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).