1-acetyloxyundecyl acetate

C15H28O4 — CID 87671199

IUPAC1-acetyloxyundecyl acetate
SMILESCCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-12-15(18-13(2)16)19-14(3)17/h15H,4-12H2,1-3H3
InChIKeyOZPSNCXEPLOJOE-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.97
Rot. Bonds11

About 1-acetyloxyundecyl acetate

1-acetyloxyundecyl acetate (PubChem CID 87671199) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-acetyloxyundecyl acetate.

Molecular Properties

Compound Name1-acetyloxyundecyl acetate
PubChem CID87671199
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-acetyloxyundecyl acetate
SMILESCCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-12-15(18-13(2)16)19-14(3)17/h15H,4-12H2,1-3H3
InChIKeyOZPSNCXEPLOJOE-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
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-acetyloxyundecyl acetate?
The IUPAC name of 1-acetyloxyundecyl acetate (CID 87671199) is 1-acetyloxyundecyl acetate.
What is the SMILES notation for 1-acetyloxyundecyl acetate?
The canonical SMILES for 1-acetyloxyundecyl acetate is CCCCCCCCCCC(OC(C)=O)OC(C)=O.
What is the InChIKey of 1-acetyloxyundecyl acetate?
The InChIKey is OZPSNCXEPLOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-12-15(18-13(2)16)19-14(3)17/h15H,4-12H2,1-3H3.
What are the key properties of 1-acetyloxyundecyl acetate?
1-acetyloxyundecyl acetate has a molecular weight of 272.38 g/mol, XLogP of 3.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyundecyl acetate is sourced from PubChem (CID 87671199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).