methyl (2Z)-hexa-2,5-dienoate

C7H10O2 — CID 10975488

IUPACmethyl (2Z)-hexa-2,5-dienoate
SMILESC=CC/C=C\C(=O)OC
InChIInChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5-6H,1,4H2,2H3/b6-5-
InChIKeyODLGSRPFJDMGNW-WAYWQWQTSA-N
MW126.15 g/mol
LogP1.29
Rot. Bonds3

About methyl (2Z)-hexa-2,5-dienoate

methyl (2Z)-hexa-2,5-dienoate (PubChem CID 10975488) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl (2Z)-hexa-2,5-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-hexa-2,5-dienoate
PubChem CID10975488
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl (2Z)-hexa-2,5-dienoate
SMILESC=CC/C=C\C(=O)OC
InChIInChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5-6H,1,4H2,2H3/b6-5-
InChIKeyODLGSRPFJDMGNW-WAYWQWQTSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
Methyl Crotonate
CID 638132
Methyl sorbate
CID 5323650
Ethyl (E)-2-heptenoate
CID 5358363
2-Butenoic acid, ethyl ester
CID 12191
Ethyl trans-2-hexenoate
CID 5364778
3-Hexenyl-2-butenoate, (2E,3Z)-
CID 16220110
Methyl 2-nonenoate
CID 5368076
Ethyl trans-crotonate
CID 429065
Methyl oct-2-enoate
CID 5364532
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
Vinyl crotonate
CID 5365800

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-hexa-2,5-dienoate?
The IUPAC name of methyl (2Z)-hexa-2,5-dienoate (CID 10975488) is methyl (2Z)-hexa-2,5-dienoate.
What is the SMILES notation for methyl (2Z)-hexa-2,5-dienoate?
The canonical SMILES for methyl (2Z)-hexa-2,5-dienoate is C=CC/C=C\C(=O)OC.
What is the InChIKey of methyl (2Z)-hexa-2,5-dienoate?
The InChIKey is ODLGSRPFJDMGNW-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5-6H,1,4H2,2H3/b6-5-.
What are the key properties of methyl (2Z)-hexa-2,5-dienoate?
methyl (2Z)-hexa-2,5-dienoate has a molecular weight of 126.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-hexa-2,5-dienoate is sourced from PubChem (CID 10975488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).