(3Z)-4-methylhepta-3,6-dienoic acid

C8H12O2 — CID 14197243

IUPAC(3Z)-4-methylhepta-3,6-dienoic acid
SMILESC=CC/C(C)=C\CC(=O)O
InChIInChI=1S/C8H12O2/c1-3-4-7(2)5-6-8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5-
InChIKeyFXAARIHMIIQBSE-ALCCZGGFSA-N
MW140.18 g/mol
LogP1.98
Rot. Bonds4

About (3Z)-4-methylhepta-3,6-dienoic acid

(3Z)-4-methylhepta-3,6-dienoic acid (PubChem CID 14197243) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3Z)-4-methylhepta-3,6-dienoic acid.

Molecular Properties

Compound Name(3Z)-4-methylhepta-3,6-dienoic acid
PubChem CID14197243
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3Z)-4-methylhepta-3,6-dienoic acid
SMILESC=CC/C(C)=C\CC(=O)O
InChIInChI=1S/C8H12O2/c1-3-4-7(2)5-6-8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5-
InChIKeyFXAARIHMIIQBSE-ALCCZGGFSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylhex-3-enoic acid
CID 14197237
(Z)-4-methylhex-3-enoic acid
CID 14197236
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437
but-3-enoic acid;dichloromethane
CID 174886985
(213C)pent-4-en-2-one
CID 173180315
but-3-enoic acid;sulfuric acid
CID 87373537
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
(3Z)-3,6-dimethylhepta-3,6-dienoic acid
CID 14844134
(2E)-3-methylhexa-2,5-dienal
CID 88529058
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methylhepta-3,6-dienoic acid?
The IUPAC name of (3Z)-4-methylhepta-3,6-dienoic acid (CID 14197243) is (3Z)-4-methylhepta-3,6-dienoic acid.
What is the SMILES notation for (3Z)-4-methylhepta-3,6-dienoic acid?
The canonical SMILES for (3Z)-4-methylhepta-3,6-dienoic acid is C=CC/C(C)=C\CC(=O)O.
What is the InChIKey of (3Z)-4-methylhepta-3,6-dienoic acid?
The InChIKey is FXAARIHMIIQBSE-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-7(2)5-6-8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5-.
What are the key properties of (3Z)-4-methylhepta-3,6-dienoic acid?
(3Z)-4-methylhepta-3,6-dienoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylhepta-3,6-dienoic acid is sourced from PubChem (CID 14197243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).