dimethyl (E)-dec-4-en-6-ynedioate

C12H16O4 — CID 102239978

IUPACdimethyl (E)-dec-4-en-6-ynedioate
SMILESCOC(=O)CCC#C/C=C/CCC(=O)OC
InChIInChI=1S/C12H16O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3,5H,7-10H2,1-2H3/b5-3+
InChIKeyFNLGRWUMRKAODB-HWKANZROSA-N
MW224.26 g/mol
LogP1.45
Rot. Bonds5

About dimethyl (E)-dec-4-en-6-ynedioate

dimethyl (E)-dec-4-en-6-ynedioate (PubChem CID 102239978) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is dimethyl (E)-dec-4-en-6-ynedioate.

Molecular Properties

Compound Namedimethyl (E)-dec-4-en-6-ynedioate
PubChem CID102239978
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namedimethyl (E)-dec-4-en-6-ynedioate
SMILESCOC(=O)CCC#C/C=C/CCC(=O)OC
InChIInChI=1S/C12H16O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3,5H,7-10H2,1-2H3/b5-3+
InChIKeyFNLGRWUMRKAODB-HWKANZROSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl oct-4-ynedioate
CID 10954517
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (Z)-octadec-9-en-11-ynoate
CID 59455308
methyl (Z)-oct-4-enoate
CID 5352774
methyl (Z)-octadec-11-en-9,13-diynoate
CID 14921637
methyl octadec-5-en-7,9-diynoate
CID 72729837
methyl (11Z,13E)-octadeca-11,13-dien-9-ynoate
CID 177446040
methyl hexadeca-8,10-dien-6,14-diynoate
CID 91509598
methyl (Z)-pentacos-8-en-4-ynoate
CID 10715458
methyl (Z)-oct-4-en-7-ynoate
CID 162411780
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
methyl hepta-4,6-dienoate
CID 53405107

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-dec-4-en-6-ynedioate?
The IUPAC name of dimethyl (E)-dec-4-en-6-ynedioate (CID 102239978) is dimethyl (E)-dec-4-en-6-ynedioate.
What is the SMILES notation for dimethyl (E)-dec-4-en-6-ynedioate?
The canonical SMILES for dimethyl (E)-dec-4-en-6-ynedioate is COC(=O)CCC#C/C=C/CCC(=O)OC.
What is the InChIKey of dimethyl (E)-dec-4-en-6-ynedioate?
The InChIKey is FNLGRWUMRKAODB-HWKANZROSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3,5H,7-10H2,1-2H3/b5-3+.
What are the key properties of dimethyl (E)-dec-4-en-6-ynedioate?
dimethyl (E)-dec-4-en-6-ynedioate has a molecular weight of 224.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-dec-4-en-6-ynedioate is sourced from PubChem (CID 102239978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).