(2Z)-2,3-dimethylpenta-2,4-dienoic acid

C7H10O2 — CID 55298951

IUPAC(2Z)-2,3-dimethylpenta-2,4-dienoic acid
SMILESC=C/C(C)=C(/C)C(=O)O
InChIInChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h4H,1H2,2-3H3,(H,8,9)/b6-5-
InChIKeyQNJWNAKIEAEKMQ-WAYWQWQTSA-N
MW126.15 g/mol
LogP1.59
Rot. Bonds2

About (2Z)-2,3-dimethylpenta-2,4-dienoic acid

(2Z)-2,3-dimethylpenta-2,4-dienoic acid (PubChem CID 55298951) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2Z)-2,3-dimethylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-2,3-dimethylpenta-2,4-dienoic acid
PubChem CID55298951
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2Z)-2,3-dimethylpenta-2,4-dienoic acid
SMILESC=C/C(C)=C(/C)C(=O)O
InChIInChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h4H,1H2,2-3H3,(H,8,9)/b6-5-
InChIKeyQNJWNAKIEAEKMQ-WAYWQWQTSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-dimethylpenta-2,4-dienoic acid?
The IUPAC name of (2Z)-2,3-dimethylpenta-2,4-dienoic acid (CID 55298951) is (2Z)-2,3-dimethylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-2,3-dimethylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z)-2,3-dimethylpenta-2,4-dienoic acid is C=C/C(C)=C(/C)C(=O)O.
What is the InChIKey of (2Z)-2,3-dimethylpenta-2,4-dienoic acid?
The InChIKey is QNJWNAKIEAEKMQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h4H,1H2,2-3H3,(H,8,9)/b6-5-.
What are the key properties of (2Z)-2,3-dimethylpenta-2,4-dienoic acid?
(2Z)-2,3-dimethylpenta-2,4-dienoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-dimethylpenta-2,4-dienoic acid is sourced from PubChem (CID 55298951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).