1,2-dihydroxypropyl decanoate

C13H26O4 — CID 19084864

IUPAC1,2-dihydroxypropyl decanoate
SMILESCCCCCCCCCC(=O)OC(O)C(C)O
InChIInChI=1S/C13H26O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,13-14,16H,3-10H2,1-2H3
InChIKeyUZJHUXFUIBRZSR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.37
Rot. Bonds10

About 1,2-dihydroxypropyl decanoate

1,2-dihydroxypropyl decanoate (PubChem CID 19084864) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,2-dihydroxypropyl decanoate.

Molecular Properties

Compound Name1,2-dihydroxypropyl decanoate
PubChem CID19084864
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1,2-dihydroxypropyl decanoate
SMILESCCCCCCCCCC(=O)OC(O)C(C)O
InChIInChI=1S/C13H26O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,13-14,16H,3-10H2,1-2H3
InChIKeyUZJHUXFUIBRZSR-UHFFFAOYSA-N
XLogP2.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxypropyl decanoate?
The IUPAC name of 1,2-dihydroxypropyl decanoate (CID 19084864) is 1,2-dihydroxypropyl decanoate.
What is the SMILES notation for 1,2-dihydroxypropyl decanoate?
The canonical SMILES for 1,2-dihydroxypropyl decanoate is CCCCCCCCCC(=O)OC(O)C(C)O.
What is the InChIKey of 1,2-dihydroxypropyl decanoate?
The InChIKey is UZJHUXFUIBRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-3-4-5-6-7-8-9-10-12(15)17-13(16)11(2)14/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of 1,2-dihydroxypropyl decanoate?
1,2-dihydroxypropyl decanoate has a molecular weight of 246.35 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxypropyl decanoate is sourced from PubChem (CID 19084864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).