(Z)-3-dodecanoyloxydodec-5-enoic acid

C24H44O4 — CID 171120165

IUPAC(Z)-3-dodecanoyloxydodec-5-enoic acid
SMILESCCCCCC/C=C\CC(CC(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-16-18-20-24(27)28-22(21-23(25)26)19-17-15-13-10-8-6-4-2/h15,17,22H,3-14,16,18-21H2,1-2H3,(H,25,26)/b17-15-
InChIKeyVTVTWGMCOWRKQS-ICFOKQHNSA-N
MW396.61 g/mol
LogP7.21
Rot. Bonds20

About (Z)-3-dodecanoyloxydodec-5-enoic acid

(Z)-3-dodecanoyloxydodec-5-enoic acid (PubChem CID 171120165) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is (Z)-3-dodecanoyloxydodec-5-enoic acid.

Molecular Properties

Compound Name(Z)-3-dodecanoyloxydodec-5-enoic acid
PubChem CID171120165
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name(Z)-3-dodecanoyloxydodec-5-enoic acid
SMILESCCCCCC/C=C\CC(CC(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-16-18-20-24(27)28-22(21-23(25)26)19-17-15-13-10-8-6-4-2/h15,17,22H,3-14,16,18-21H2,1-2H3,(H,25,26)/b17-15-
InChIKeyVTVTWGMCOWRKQS-ICFOKQHNSA-N
XLogP7.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[(Z)-icos-11-enoyl]oxypentanoic acid
CID 138165140
3-[(Z)-nonadec-10-enoyl]oxytridecanoic acid
CID 171117562
3-[(Z)-heptadec-10-enoyl]oxydocosanoic acid
CID 134775732
3-[(Z)-pentadec-9-enoyl]oxyundecanoic acid
CID 171117594
3-[(Z)-tricos-14-enoyl]oxyhexanoic acid
CID 171117403
3-[(Z)-docos-13-enoyl]oxydodecanoic acid
CID 171117432
3-[(Z)-icos-11-enoyl]oxyhexadecanoic acid
CID 134760037
3-[(Z)-tetradec-7-enoyl]oxydodecanoic acid
CID 171120171
(Z)-3-decanoyloxyhexadec-9-enoic acid
CID 171120163
3-[(Z)-hexadec-9-enoyl]oxyoctanoic acid
CID 171117495
3-[(Z)-hexadec-9-enoyl]oxytridecanoic acid
CID 171117555
3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid
CID 171117603

Frequently Asked Questions

What is the IUPAC name of (Z)-3-dodecanoyloxydodec-5-enoic acid?
The IUPAC name of (Z)-3-dodecanoyloxydodec-5-enoic acid (CID 171120165) is (Z)-3-dodecanoyloxydodec-5-enoic acid.
What is the SMILES notation for (Z)-3-dodecanoyloxydodec-5-enoic acid?
The canonical SMILES for (Z)-3-dodecanoyloxydodec-5-enoic acid is CCCCCC/C=C\CC(CC(=O)O)OC(=O)CCCCCCCCCCC.
What is the InChIKey of (Z)-3-dodecanoyloxydodec-5-enoic acid?
The InChIKey is VTVTWGMCOWRKQS-ICFOKQHNSA-N. The full InChI is InChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-16-18-20-24(27)28-22(21-23(25)26)19-17-15-13-10-8-6-4-2/h15,17,22H,3-14,16,18-21H2,1-2H3,(H,25,26)/b17-15-.
What are the key properties of (Z)-3-dodecanoyloxydodec-5-enoic acid?
(Z)-3-dodecanoyloxydodec-5-enoic acid has a molecular weight of 396.61 g/mol, XLogP of 7.21, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-dodecanoyloxydodec-5-enoic acid is sourced from PubChem (CID 171120165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).