10-hydroxydecyl acetate

C12H24O3 — CID 11009365

IUPAC10-hydroxydecyl acetate
SMILESCC(=O)OCCCCCCCCCCO
InChIInChI=1S/C12H24O3/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h13H,2-11H2,1H3
InChIKeyISPBFHJVEYJABG-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds10

About 10-hydroxydecyl acetate

10-hydroxydecyl acetate (PubChem CID 11009365) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 10-hydroxydecyl acetate.

Molecular Properties

Compound Name10-hydroxydecyl acetate
PubChem CID11009365
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name10-hydroxydecyl acetate
SMILESCC(=O)OCCCCCCCCCCO
InChIInChI=1S/C12H24O3/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h13H,2-11H2,1H3
InChIKeyISPBFHJVEYJABG-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecyl acetate?
The IUPAC name of 10-hydroxydecyl acetate (CID 11009365) is 10-hydroxydecyl acetate.
What is the SMILES notation for 10-hydroxydecyl acetate?
The canonical SMILES for 10-hydroxydecyl acetate is CC(=O)OCCCCCCCCCCO.
What is the InChIKey of 10-hydroxydecyl acetate?
The InChIKey is ISPBFHJVEYJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h13H,2-11H2,1H3.
What are the key properties of 10-hydroxydecyl acetate?
10-hydroxydecyl acetate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecyl acetate is sourced from PubChem (CID 11009365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).