2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid

C17H30O2 — CID 134223187

IUPAC2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
SMILESCC/C=C\C/C=C\C(CCCCCCCC)C(=O)O
InChIInChI=1S/C17H30O2/c1-3-5-7-9-11-13-15-16(17(18)19)14-12-10-8-6-4-2/h6,8,12,14,16H,3-5,7,9-11,13,15H2,1-2H3,(H,18,19)/b8-6-,14-12-
InChIKeyZXTFOYAOVUOFNB-HWXFIQLYSA-N
MW266.42 g/mol
LogP5.35
Rot. Bonds12

About 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid

2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid (PubChem CID 134223187) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid.

Molecular Properties

Compound Name2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
PubChem CID134223187
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
SMILESCC/C=C\C/C=C\C(CCCCCCCC)C(=O)O
InChIInChI=1S/C17H30O2/c1-3-5-7-9-11-13-15-16(17(18)19)14-12-10-8-6-4-2/h6,8,12,14,16H,3-5,7,9-11,13,15H2,1-2H3,(H,18,19)/b8-6-,14-12-
InChIKeyZXTFOYAOVUOFNB-HWXFIQLYSA-N
XLogP5.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.35
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

(E)-2-butylhex-3-enoic acid
CID 20517887
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
2-hexylhex-3-enedioic acid
CID 142465672
2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
(E)-2-propylhex-3-enoic acid
CID 156873563
(Z)-2-butylhept-3-enoic acid
CID 166071483
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
2-[(E)-but-1-enyl]hexanedioic acid
CID 18980848
(9Z,12Z,15Z)-8-tricosanoyloxyoctadeca-9,12,15-trienoic acid
CID 138124492
(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid
CID 138295591
(7Z,10Z,13Z,16Z,19Z)-6-dodecanoyloxydocosa-7,10,13,16,19-pentaenoic acid
CID 138186009
(7Z,10Z,13Z,16Z,19Z)-6-undecanoyloxydocosa-7,10,13,16,19-pentaenoic acid
CID 138267232

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid?
The IUPAC name of 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid (CID 134223187) is 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid.
What is the SMILES notation for 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid?
The canonical SMILES for 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid is CC/C=C\C/C=C\C(CCCCCCCC)C(=O)O.
What is the InChIKey of 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid?
The InChIKey is ZXTFOYAOVUOFNB-HWXFIQLYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-7-9-11-13-15-16(17(18)19)14-12-10-8-6-4-2/h6,8,12,14,16H,3-5,7,9-11,13,15H2,1-2H3,(H,18,19)/b8-6-,14-12-.
What are the key properties of 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid?
2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid has a molecular weight of 266.42 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid is sourced from PubChem (CID 134223187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).