11-hydroxyundecyl acetate

C13H26O3 — CID 10059750

IUPAC11-hydroxyundecyl acetate
SMILESCC(=O)OCCCCCCCCCCCO
InChIInChI=1S/C13H26O3/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h14H,2-12H2,1H3
InChIKeyFRYAHUIXVSJEBC-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds11

About 11-hydroxyundecyl acetate

11-hydroxyundecyl acetate (PubChem CID 10059750) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 11-hydroxyundecyl acetate.

Molecular Properties

Compound Name11-hydroxyundecyl acetate
PubChem CID10059750
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name11-hydroxyundecyl acetate
SMILESCC(=O)OCCCCCCCCCCCO
InChIInChI=1S/C13H26O3/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h14H,2-12H2,1H3
InChIKeyFRYAHUIXVSJEBC-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
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 11-hydroxyundecyl acetate?
The IUPAC name of 11-hydroxyundecyl acetate (CID 10059750) is 11-hydroxyundecyl acetate.
What is the SMILES notation for 11-hydroxyundecyl acetate?
The canonical SMILES for 11-hydroxyundecyl acetate is CC(=O)OCCCCCCCCCCCO.
What is the InChIKey of 11-hydroxyundecyl acetate?
The InChIKey is FRYAHUIXVSJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h14H,2-12H2,1H3.
What are the key properties of 11-hydroxyundecyl acetate?
11-hydroxyundecyl acetate has a molecular weight of 230.35 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyundecyl acetate is sourced from PubChem (CID 10059750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).