methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate

C11H10O2 — CID 91753646

IUPACmethyl (2Z,8E)-deca-2,8-dien-4,6-diynoate
SMILESC/C=C/C#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3+,10-9-
InChIKeyGXPDZHWFJLUFGY-YKNGABIKSA-N
MW174.20 g/mol
LogP1.30
Rot. Bonds1

About methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate

methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate (PubChem CID 91753646) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate.

Molecular Properties

Compound Namemethyl (2Z,8E)-deca-2,8-dien-4,6-diynoate
PubChem CID91753646
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Namemethyl (2Z,8E)-deca-2,8-dien-4,6-diynoate
SMILESC/C=C/C#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3+,10-9-
InChIKeyGXPDZHWFJLUFGY-YKNGABIKSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
Methyl Crotonate
CID 638132
Ethyl sorbate
CID 1550470
Methyl sorbate
CID 5323650
2-Butenoic acid, ethyl ester
CID 12191
Allyl sorbate
CID 6435833
Diallyl maleate
CID 5354266
Ethyl trans-crotonate
CID 429065
Butyl crotonate
CID 5366039

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate?
The IUPAC name of methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate (CID 91753646) is methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate.
What is the SMILES notation for methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate?
The canonical SMILES for methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate is C/C=C/C#CC#C/C=C\C(=O)OC.
What is the InChIKey of methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate?
The InChIKey is GXPDZHWFJLUFGY-YKNGABIKSA-N. The full InChI is InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3+,10-9-.
What are the key properties of methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate?
methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate has a molecular weight of 174.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate is sourced from PubChem (CID 91753646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).