(Z)-2,17-dihydroxyoctadec-9-enedioic acid

C18H32O6 — CID 46781328

IUPAC(Z)-2,17-dihydroxyoctadec-9-enedioic acid
SMILESO=C(O)C(O)CCCCCC/C=C\CCCCCCC(O)C(=O)O
InChIInChI=1S/C18H32O6/c19-15(17(21)22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(20)18(23)24/h1-2,15-16,19-20H,3-14H2,(H,21,22)(H,23,24)/b2-1-
InChIKeyVUMVUTUEGSVYTI-UPHRSURJSA-N
MW344.45 g/mol
LogP3.11
Rot. Bonds16

About (Z)-2,17-dihydroxyoctadec-9-enedioic acid

(Z)-2,17-dihydroxyoctadec-9-enedioic acid (PubChem CID 46781328) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is (Z)-2,17-dihydroxyoctadec-9-enedioic acid.

Molecular Properties

Compound Name(Z)-2,17-dihydroxyoctadec-9-enedioic acid
PubChem CID46781328
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name(Z)-2,17-dihydroxyoctadec-9-enedioic acid
SMILESO=C(O)C(O)CCCCCC/C=C\CCCCCCC(O)C(=O)O
InChIInChI=1S/C18H32O6/c19-15(17(21)22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(20)18(23)24/h1-2,15-16,19-20H,3-14H2,(H,21,22)(H,23,24)/b2-1-
InChIKeyVUMVUTUEGSVYTI-UPHRSURJSA-N
XLogP3.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-2,17-dihydroxyoctadec-9-enedioic 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

(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
2-hydroxydocos-5-enoic acid
CID 139910462
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
CID 67655950
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxydecanoic acid
CID 161255514
2-hydroxy-17-methyloctadecanoic acid
CID 23427391

Frequently Asked Questions

What is the IUPAC name of (Z)-2,17-dihydroxyoctadec-9-enedioic acid?
The IUPAC name of (Z)-2,17-dihydroxyoctadec-9-enedioic acid (CID 46781328) is (Z)-2,17-dihydroxyoctadec-9-enedioic acid.
What is the SMILES notation for (Z)-2,17-dihydroxyoctadec-9-enedioic acid?
The canonical SMILES for (Z)-2,17-dihydroxyoctadec-9-enedioic acid is O=C(O)C(O)CCCCCC/C=C\CCCCCCC(O)C(=O)O.
What is the InChIKey of (Z)-2,17-dihydroxyoctadec-9-enedioic acid?
The InChIKey is VUMVUTUEGSVYTI-UPHRSURJSA-N. The full InChI is InChI=1S/C18H32O6/c19-15(17(21)22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(20)18(23)24/h1-2,15-16,19-20H,3-14H2,(H,21,22)(H,23,24)/b2-1-.
What are the key properties of (Z)-2,17-dihydroxyoctadec-9-enedioic acid?
(Z)-2,17-dihydroxyoctadec-9-enedioic acid has a molecular weight of 344.45 g/mol, XLogP of 3.11, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,17-dihydroxyoctadec-9-enedioic acid is sourced from PubChem (CID 46781328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).