(Z)-2,3-dimethylnon-4-enoic acid

C11H20O2 — CID 87090108

IUPAC(Z)-2,3-dimethylnon-4-enoic acid
SMILESCCCC/C=C\C(C)C(C)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9(2)10(3)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/b8-7-
InChIKeyZAHLYNYJUJNNSR-FPLPWBNLSA-N
MW184.28 g/mol
LogP3.09
Rot. Bonds6

About (Z)-2,3-dimethylnon-4-enoic acid

(Z)-2,3-dimethylnon-4-enoic acid (PubChem CID 87090108) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-2,3-dimethylnon-4-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-dimethylnon-4-enoic acid
PubChem CID87090108
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-2,3-dimethylnon-4-enoic acid
SMILESCCCC/C=C\C(C)C(C)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9(2)10(3)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/b8-7-
InChIKeyZAHLYNYJUJNNSR-FPLPWBNLSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-oct-3-en-2-yl]butanedioic acid
CID 137456392
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
diethyl 2-[(E)-oct-3-en-2-yl]propanedioate
CID 11369249
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
(E)-3-hydroxynon-4-enoic acid
CID 55277354
(E)-2-ethylnon-3-enoic acid
CID 166071468
(8S,9R)-9-hydroxy-8-methyltridec-6-enoic acid
CID 54091133
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethylnon-4-enoic acid?
The IUPAC name of (Z)-2,3-dimethylnon-4-enoic acid (CID 87090108) is (Z)-2,3-dimethylnon-4-enoic acid.
What is the SMILES notation for (Z)-2,3-dimethylnon-4-enoic acid?
The canonical SMILES for (Z)-2,3-dimethylnon-4-enoic acid is CCCC/C=C\C(C)C(C)C(=O)O.
What is the InChIKey of (Z)-2,3-dimethylnon-4-enoic acid?
The InChIKey is ZAHLYNYJUJNNSR-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-9(2)10(3)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/b8-7-.
What are the key properties of (Z)-2,3-dimethylnon-4-enoic acid?
(Z)-2,3-dimethylnon-4-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethylnon-4-enoic acid is sourced from PubChem (CID 87090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).