(Z)-dec-5-en-8-ynoic acid

C10H14O2 — CID 54762922

IUPAC(Z)-dec-5-en-8-ynoic acid
SMILESCC#CC/C=C\CCCC(=O)O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,4,7-9H2,1H3,(H,11,12)/b6-5-
InChIKeyWZKDJCAWAQQBJH-WAYWQWQTSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds5

About (Z)-dec-5-en-8-ynoic acid

(Z)-dec-5-en-8-ynoic acid (PubChem CID 54762922) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (Z)-dec-5-en-8-ynoic acid.

Molecular Properties

Compound Name(Z)-dec-5-en-8-ynoic acid
PubChem CID54762922
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(Z)-dec-5-en-8-ynoic acid
SMILESCC#CC/C=C\CCCC(=O)O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,4,7-9H2,1H3,(H,11,12)/b6-5-
InChIKeyWZKDJCAWAQQBJH-WAYWQWQTSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-dec-5-en-8-ynoic acid?
The IUPAC name of (Z)-dec-5-en-8-ynoic acid (CID 54762922) is (Z)-dec-5-en-8-ynoic acid.
What is the SMILES notation for (Z)-dec-5-en-8-ynoic acid?
The canonical SMILES for (Z)-dec-5-en-8-ynoic acid is CC#CC/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-dec-5-en-8-ynoic acid?
The InChIKey is WZKDJCAWAQQBJH-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,4,7-9H2,1H3,(H,11,12)/b6-5-.
What are the key properties of (Z)-dec-5-en-8-ynoic acid?
(Z)-dec-5-en-8-ynoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dec-5-en-8-ynoic acid is sourced from PubChem (CID 54762922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).