dec-9-enoic acid;3-hydroxydec-9-enoic acid

C20H36O5 — CID 159851284

IUPACdec-9-enoic acid;3-hydroxydec-9-enoic acid
SMILESC=CCCCCCC(O)CC(=O)O.C=CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O3.C10H18O2/c1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-7-8-9-10(11)12/h2,9,11H,1,3-8H2,(H,12,13);2H,1,3-9H2,(H,11,12)
InChIKeyNPYXCWREKHQLGH-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.95
Rot. Bonds16

About dec-9-enoic acid;3-hydroxydec-9-enoic acid

dec-9-enoic acid;3-hydroxydec-9-enoic acid (PubChem CID 159851284) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is dec-9-enoic acid;3-hydroxydec-9-enoic acid.

Molecular Properties

Compound Namedec-9-enoic acid;3-hydroxydec-9-enoic acid
PubChem CID159851284
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Namedec-9-enoic acid;3-hydroxydec-9-enoic acid
SMILESC=CCCCCCC(O)CC(=O)O.C=CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O3.C10H18O2/c1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-7-8-9-10(11)12/h2,9,11H,1,3-8H2,(H,12,13);2H,1,3-9H2,(H,11,12)
InChIKeyNPYXCWREKHQLGH-UHFFFAOYSA-N
XLogP4.95
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.95
H-Bond Donors ≤ 53
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-hydroxydec-9-enoic acid
CID 19010677
3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
4-hydroxydodec-11-enoic acid
CID 139805445
3-hydroxyoctanedioic acid
CID 22328017
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798
(5R)-5-hydroxydec-9-enoic acid
CID 97184595

Frequently Asked Questions

What is the IUPAC name of dec-9-enoic acid;3-hydroxydec-9-enoic acid?
The IUPAC name of dec-9-enoic acid;3-hydroxydec-9-enoic acid (CID 159851284) is dec-9-enoic acid;3-hydroxydec-9-enoic acid.
What is the SMILES notation for dec-9-enoic acid;3-hydroxydec-9-enoic acid?
The canonical SMILES for dec-9-enoic acid;3-hydroxydec-9-enoic acid is C=CCCCCCC(O)CC(=O)O.C=CCCCCCCCC(=O)O.
What is the InChIKey of dec-9-enoic acid;3-hydroxydec-9-enoic acid?
The InChIKey is NPYXCWREKHQLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C10H18O2/c1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-7-8-9-10(11)12/h2,9,11H,1,3-8H2,(H,12,13);2H,1,3-9H2,(H,11,12).
What are the key properties of dec-9-enoic acid;3-hydroxydec-9-enoic acid?
dec-9-enoic acid;3-hydroxydec-9-enoic acid has a molecular weight of 356.50 g/mol, XLogP of 4.95, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enoic acid;3-hydroxydec-9-enoic acid is sourced from PubChem (CID 159851284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).