dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate

C12H10O4 — CID 15851507

IUPACdimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate
SMILESCOC(=O)/C=C/C#CC#C/C=C/C(=O)OC
InChIInChI=1S/C12H10O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7-10H,1-2H3/b9-7+,10-8+
InChIKeyVFFGIPFZEMUIIP-FIFLTTCUSA-N
MW218.21 g/mol
LogP0.45
Rot. Bonds2

About dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate

dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate (PubChem CID 15851507) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate.

Molecular Properties

Compound Namedimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate
PubChem CID15851507
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namedimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate
SMILESCOC(=O)/C=C/C#CC#C/C=C/C(=O)OC
InChIInChI=1S/C12H10O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7-10H,1-2H3/b9-7+,10-8+
InChIKeyVFFGIPFZEMUIIP-FIFLTTCUSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethyl Fumarate
CID 637568
Dimethyl maleate
CID 5271565
Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Dibutyl maleate
CID 5271569
Dibutyl fumarate
CID 5271570
Methyl Crotonate
CID 638132
Diallyl maleate
CID 5354266
Dimethyl but-2-enedioate
CID 12215
Dipropyl maleate
CID 5271567
Diallyl fumarate
CID 5355330
Diallyl but-2-enedioate
CID 76050

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate?
The IUPAC name of dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate (CID 15851507) is dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate.
What is the SMILES notation for dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate?
The canonical SMILES for dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate is COC(=O)/C=C/C#CC#C/C=C/C(=O)OC.
What is the InChIKey of dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate?
The InChIKey is VFFGIPFZEMUIIP-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7-10H,1-2H3/b9-7+,10-8+.
What are the key properties of dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate?
dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate has a molecular weight of 218.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate is sourced from PubChem (CID 15851507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).