(2Z)-5-methylhexa-2,5-dienoic acid

C7H10O2 — CID 55299633

IUPAC(2Z)-5-methylhexa-2,5-dienoic acid
SMILESC=C(C)C/C=C\C(=O)O
InChIInChI=1S/C7H10O2/c1-6(2)4-3-5-7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-
InChIKeyPGPPPGMGBSZVPY-HYXAFXHYSA-N
MW126.15 g/mol
LogP1.59
Rot. Bonds3

About (2Z)-5-methylhexa-2,5-dienoic acid

(2Z)-5-methylhexa-2,5-dienoic acid (PubChem CID 55299633) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2Z)-5-methylhexa-2,5-dienoic acid.

Molecular Properties

Compound Name(2Z)-5-methylhexa-2,5-dienoic acid
PubChem CID55299633
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2Z)-5-methylhexa-2,5-dienoic acid
SMILESC=C(C)C/C=C\C(=O)O
InChIInChI=1S/C7H10O2/c1-6(2)4-3-5-7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-
InChIKeyPGPPPGMGBSZVPY-HYXAFXHYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(5E)-8-methyl-4-oxonona-5,8-dienoic acid
CID 176556738
pent-2-enedioic acid
CID 87399612
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid
CID 87713919
hepta-2,5-dienedioic acid
CID 74058962
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
(4E)-2-methylhexa-1,4-diene
CID 5367524
(E)-pent-2-enoic acid
CID 638122
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
cyclohexane;(E)-pent-2-enedioic acid
CID 174977639
(2E)-6-methylhepta-2,5-dienoic acid
CID 55299219
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methylhexa-2,5-dienoic acid?
The IUPAC name of (2Z)-5-methylhexa-2,5-dienoic acid (CID 55299633) is (2Z)-5-methylhexa-2,5-dienoic acid.
What is the SMILES notation for (2Z)-5-methylhexa-2,5-dienoic acid?
The canonical SMILES for (2Z)-5-methylhexa-2,5-dienoic acid is C=C(C)C/C=C\C(=O)O.
What is the InChIKey of (2Z)-5-methylhexa-2,5-dienoic acid?
The InChIKey is PGPPPGMGBSZVPY-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(2)4-3-5-7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b5-3-.
What are the key properties of (2Z)-5-methylhexa-2,5-dienoic acid?
(2Z)-5-methylhexa-2,5-dienoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methylhexa-2,5-dienoic acid is sourced from PubChem (CID 55299633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).