9,10-dihydroxydec-2-enoic acid

C10H18O4 — CID 74394352

IUPAC9,10-dihydroxydec-2-enoic acid
SMILESO=C(O)C=CCCCCCC(O)CO
InChIInChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14)
InChIKeyLJVFDEUMLMNPKS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.93
Rot. Bonds8

About 9,10-dihydroxydec-2-enoic acid

9,10-dihydroxydec-2-enoic acid (PubChem CID 74394352) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 9,10-dihydroxydec-2-enoic acid.

Molecular Properties

Compound Name9,10-dihydroxydec-2-enoic acid
PubChem CID74394352
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name9,10-dihydroxydec-2-enoic acid
SMILESO=C(O)C=CCCCCCC(O)CO
InChIInChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14)
InChIKeyLJVFDEUMLMNPKS-UHFFFAOYSA-N
XLogP0.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11,12-dihydroxydodec-2-enoic acid
CID 154629729
11-hydroxypentadec-2-enoic acid
CID 162983544
14-hydroxyicos-2-enoic acid
CID 54225996
methyl (E)-9,10-dihydroxydec-2-enoate
CID 59411834
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
(E)-10-hydroxydec-2-enoic acid
CID 5312738
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
acetic acid;(Z)-heptadec-2-enoic acid;hexadecanoic acid;propane-1,2,3-triol
CID 170849508
14-methyl-15-oxopentadec-2-enoic acid
CID 163045646

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxydec-2-enoic acid?
The IUPAC name of 9,10-dihydroxydec-2-enoic acid (CID 74394352) is 9,10-dihydroxydec-2-enoic acid.
What is the SMILES notation for 9,10-dihydroxydec-2-enoic acid?
The canonical SMILES for 9,10-dihydroxydec-2-enoic acid is O=C(O)C=CCCCCCC(O)CO.
What is the InChIKey of 9,10-dihydroxydec-2-enoic acid?
The InChIKey is LJVFDEUMLMNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14).
What are the key properties of 9,10-dihydroxydec-2-enoic acid?
9,10-dihydroxydec-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxydec-2-enoic acid is sourced from PubChem (CID 74394352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).