(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid

C11H12O2 — CID 143449145

IUPAC(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid
SMILESC=C(C#CC)/C=C\C(=C)CC(=O)O
InChIInChI=1S/C11H12O2/c1-4-5-9(2)6-7-10(3)8-11(12)13/h6-7H,2-3,8H2,1H3,(H,12,13)/b7-6-
InChIKeyQUKLQZLAAKOCFK-SREVYHEPSA-N
MW176.21 g/mol
LogP2.15
Rot. Bonds4

About (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid

(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid (PubChem CID 143449145) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid.

Molecular Properties

Compound Name(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid
PubChem CID143449145
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid
SMILESC=C(C#CC)/C=C\C(=C)CC(=O)O
InChIInChI=1S/C11H12O2/c1-4-5-9(2)6-7-10(3)8-11(12)13/h6-7H,2-3,8H2,1H3,(H,12,13)/b7-6-
InChIKeyQUKLQZLAAKOCFK-SREVYHEPSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
CID 145179065
(4Z)-6-(methylamino)-3-methylidenehepta-4,6-dienoic acid
CID 178016476
(Z)-6-chloro-3-methylidene-6-oxohex-4-enoic acid
CID 142616896
3-methylidene-5-silylpent-4-enoic acid
CID 175145880
3-(ethyliminomethyl)but-3-enoic acid
CID 154029010
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
(4E)-5-chloro-3-methylidenehepta-4,6-dienoic acid
CID 129167167
3-methylidene-5-trimethylsilylpent-4-ynoic acid
CID 11074045
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
ethene;propanedioic acid
CID 159912302
methanol;propanedioic acid
CID 87156965
3-(but-2-ynoylamino)propanoic acid
CID 107986385

Frequently Asked Questions

What is the IUPAC name of (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid?
The IUPAC name of (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid (CID 143449145) is (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid.
What is the SMILES notation for (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid?
The canonical SMILES for (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid is C=C(C#CC)/C=C\C(=C)CC(=O)O.
What is the InChIKey of (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid?
The InChIKey is QUKLQZLAAKOCFK-SREVYHEPSA-N. The full InChI is InChI=1S/C11H12O2/c1-4-5-9(2)6-7-10(3)8-11(12)13/h6-7H,2-3,8H2,1H3,(H,12,13)/b7-6-.
What are the key properties of (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid?
(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid has a molecular weight of 176.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,6-dimethylidenenon-4-en-7-ynoic acid is sourced from PubChem (CID 143449145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).