2-[(Z)-pentadec-1-enyl]propanedioic acid

C18H32O4 — CID 156873718

IUPAC2-[(Z)-pentadec-1-enyl]propanedioic acid
SMILESCCCCCCCCCCCCC/C=C\C(C(=O)O)C(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(21)22/h14-16H,2-13H2,1H3,(H,19,20)(H,21,22)/b15-14-
InChIKeyBDSPISKAWKUMIQ-PFONDFGASA-N
MW312.45 g/mol
LogP5.03
Rot. Bonds15

About 2-[(Z)-pentadec-1-enyl]propanedioic acid

2-[(Z)-pentadec-1-enyl]propanedioic acid (PubChem CID 156873718) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-[(Z)-pentadec-1-enyl]propanedioic acid.

Molecular Properties

Compound Name2-[(Z)-pentadec-1-enyl]propanedioic acid
PubChem CID156873718
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name2-[(Z)-pentadec-1-enyl]propanedioic acid
SMILESCCCCCCCCCCCCC/C=C\C(C(=O)O)C(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(21)22/h14-16H,2-13H2,1H3,(H,19,20)(H,21,22)/b15-14-
InChIKeyBDSPISKAWKUMIQ-PFONDFGASA-N
XLogP5.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(Z)-pentadec-1-enyl]propanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(E)-2-ethylnon-3-enoic acid
CID 166071468
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-tetradec-1-enylbutanedioic acid
CID 3018655
(E)-2-(dimethylamino)icos-3-enoic acid
CID 87586189
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
CID 11057009
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pentadec-1-enyl]propanedioic acid?
The IUPAC name of 2-[(Z)-pentadec-1-enyl]propanedioic acid (CID 156873718) is 2-[(Z)-pentadec-1-enyl]propanedioic acid.
What is the SMILES notation for 2-[(Z)-pentadec-1-enyl]propanedioic acid?
The canonical SMILES for 2-[(Z)-pentadec-1-enyl]propanedioic acid is CCCCCCCCCCCCC/C=C\C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[(Z)-pentadec-1-enyl]propanedioic acid?
The InChIKey is BDSPISKAWKUMIQ-PFONDFGASA-N. The full InChI is InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(21)22/h14-16H,2-13H2,1H3,(H,19,20)(H,21,22)/b15-14-.
What are the key properties of 2-[(Z)-pentadec-1-enyl]propanedioic acid?
2-[(Z)-pentadec-1-enyl]propanedioic acid has a molecular weight of 312.45 g/mol, XLogP of 5.03, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pentadec-1-enyl]propanedioic acid is sourced from PubChem (CID 156873718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).