1-acetyloxydecyl acetate

C14H26O4 — CID 11345932

IUPAC1-acetyloxydecyl acetate
SMILESCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H26O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h14H,4-11H2,1-3H3
InChIKeyUNJIBKRXEDNWDR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.58
Rot. Bonds10

About 1-acetyloxydecyl acetate

1-acetyloxydecyl acetate (PubChem CID 11345932) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-acetyloxydecyl acetate.

Molecular Properties

Compound Name1-acetyloxydecyl acetate
PubChem CID11345932
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-acetyloxydecyl acetate
SMILESCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H26O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h14H,4-11H2,1-3H3
InChIKeyUNJIBKRXEDNWDR-UHFFFAOYSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.58
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-acetyloxydecyl acetate?
The IUPAC name of 1-acetyloxydecyl acetate (CID 11345932) is 1-acetyloxydecyl acetate.
What is the SMILES notation for 1-acetyloxydecyl acetate?
The canonical SMILES for 1-acetyloxydecyl acetate is CCCCCCCCCC(OC(C)=O)OC(C)=O.
What is the InChIKey of 1-acetyloxydecyl acetate?
The InChIKey is UNJIBKRXEDNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h14H,4-11H2,1-3H3.
What are the key properties of 1-acetyloxydecyl acetate?
1-acetyloxydecyl acetate has a molecular weight of 258.36 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxydecyl acetate is sourced from PubChem (CID 11345932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).