2-[(Z)-tetradec-7-enyl]icosanoic acid

C34H66O2 — CID 56844148

IUPAC2-[(Z)-tetradec-7-enyl]icosanoic acid
SMILESCCCCCC/C=C\CCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,33H,3-13,15,17-32H2,1-2H3,(H,35,36)/b16-14-
InChIKeyJXLAKMHCKZQERT-PEZBUJJGSA-N
MW506.90 g/mol
LogP12.21
Rot. Bonds30

About 2-[(Z)-tetradec-7-enyl]icosanoic acid

2-[(Z)-tetradec-7-enyl]icosanoic acid (PubChem CID 56844148) has the molecular formula C34H66O2 and a molecular weight of 506.90 g/mol. Its IUPAC name is 2-[(Z)-tetradec-7-enyl]icosanoic acid.

Molecular Properties

Compound Name2-[(Z)-tetradec-7-enyl]icosanoic acid
PubChem CID56844148
Molecular FormulaC34H66O2
Molecular Weight506.90 g/mol
Exact Mass506.51
IUPAC Name2-[(Z)-tetradec-7-enyl]icosanoic acid
SMILESCCCCCC/C=C\CCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,33H,3-13,15,17-32H2,1-2H3,(H,35,36)/b16-14-
InChIKeyJXLAKMHCKZQERT-PEZBUJJGSA-N
XLogP12.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.90
LogP ≤ 512.21
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'}

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Related Compounds

2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351
(Z)-2-(2-chloroethyl)docos-13-enoic acid
CID 175201489
2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
2-propylheptadec-5-enoic acid
CID 91495561
2-propyloctadec-5-enoic acid
CID 141120150
16-methyl-2-octadecyldocos-13-enoic acid
CID 174214728
2-[(Z)-12-methyltetradec-7-enyl]octadecanoic acid
CID 174214794
13-methyl-2-tetradecyltetracos-15-enoic acid
CID 174214891

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-tetradec-7-enyl]icosanoic acid?
The IUPAC name of 2-[(Z)-tetradec-7-enyl]icosanoic acid (CID 56844148) is 2-[(Z)-tetradec-7-enyl]icosanoic acid.
What is the SMILES notation for 2-[(Z)-tetradec-7-enyl]icosanoic acid?
The canonical SMILES for 2-[(Z)-tetradec-7-enyl]icosanoic acid is CCCCCC/C=C\CCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-[(Z)-tetradec-7-enyl]icosanoic acid?
The InChIKey is JXLAKMHCKZQERT-PEZBUJJGSA-N. The full InChI is InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,33H,3-13,15,17-32H2,1-2H3,(H,35,36)/b16-14-.
What are the key properties of 2-[(Z)-tetradec-7-enyl]icosanoic acid?
2-[(Z)-tetradec-7-enyl]icosanoic acid has a molecular weight of 506.90 g/mol, XLogP of 12.21, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-tetradec-7-enyl]icosanoic acid is sourced from PubChem (CID 56844148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).