2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate

C24H48O8 — CID 175690689

IUPAC2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate
SMILESCCCCCCCC(=O)OCC(O)CO.CCCCCCCCC(CC(O)CO)C(=O)O
InChIInChI=1S/C13H26O4.C11H22O4/c1-2-3-4-5-6-7-8-11(13(16)17)9-12(15)10-14;1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h11-12,14-15H,2-10H2,1H3,(H,16,17);10,12-13H,2-9H2,1H3
InChIKeySUMUAWFIHFQQPH-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.42
Rot. Bonds20

About 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate

2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate (PubChem CID 175690689) has the molecular formula C24H48O8 and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate
PubChem CID175690689
Molecular FormulaC24H48O8
Molecular Weight464.64 g/mol
Exact Mass464.33
IUPAC Name2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate
SMILESCCCCCCCC(=O)OCC(O)CO.CCCCCCCCC(CC(O)CO)C(=O)O
InChIInChI=1S/C13H26O4.C11H22O4/c1-2-3-4-5-6-7-8-11(13(16)17)9-12(15)10-14;1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h11-12,14-15H,2-10H2,1H3,(H,16,17);10,12-13H,2-9H2,1H3
InChIKeySUMUAWFIHFQQPH-UHFFFAOYSA-N
XLogP3.42
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl octanoate;2-(2,3-dihydroxypropyl)octanoic acid
CID 157476858
2-(2,3-dihydroxypropyl)hexadecanoic acid;2,3-dihydroxypropyl (Z)-hexadec-9-enoate
CID 175891795
2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl 16-octadecyltetratriacontanoate
CID 122583425
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
20,21-dihydroxyhenicosanoic acid;2,3-dihydroxypropyl octadecanoate
CID 160672733

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate?
The IUPAC name of 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate (CID 175690689) is 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate?
The canonical SMILES for 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate is CCCCCCCC(=O)OCC(O)CO.CCCCCCCCC(CC(O)CO)C(=O)O.
What is the InChIKey of 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate?
The InChIKey is SUMUAWFIHFQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4.C11H22O4/c1-2-3-4-5-6-7-8-11(13(16)17)9-12(15)10-14;1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h11-12,14-15H,2-10H2,1H3,(H,16,17);10,12-13H,2-9H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate?
2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate has a molecular weight of 464.64 g/mol, XLogP of 3.42, 20 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)decanoic acid;2,3-dihydroxypropyl octanoate is sourced from PubChem (CID 175690689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).