1,1,2,2,2-pentaacetyloxyethyl acetate

C14H18O12 — CID 71773968

IUPAC1,1,2,2,2-pentaacetyloxyethyl acetate
SMILESCC(=O)OC(OC(C)=O)(OC(C)=O)C(OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H18O12/c1-7(15)21-13(22-8(2)16,23-9(3)17)14(24-10(4)18,25-11(5)19)26-12(6)20/h1-6H3
InChIKeyVPUCMYCFAOCIJS-UHFFFAOYSA-N
MW378.29 g/mol
LogP-0.33
Rot. Bonds7

About 1,1,2,2,2-pentaacetyloxyethyl acetate

1,1,2,2,2-pentaacetyloxyethyl acetate (PubChem CID 71773968) has the molecular formula C14H18O12 and a molecular weight of 378.29 g/mol. Its IUPAC name is 1,1,2,2,2-pentaacetyloxyethyl acetate.

Molecular Properties

Compound Name1,1,2,2,2-pentaacetyloxyethyl acetate
PubChem CID71773968
Molecular FormulaC14H18O12
Molecular Weight378.29 g/mol
Exact Mass378.08
IUPAC Name1,1,2,2,2-pentaacetyloxyethyl acetate
SMILESCC(=O)OC(OC(C)=O)(OC(C)=O)C(OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H18O12/c1-7(15)21-13(22-8(2)16,23-9(3)17)14(24-10(4)18,25-11(5)19)26-12(6)20/h1-6H3
InChIKeyVPUCMYCFAOCIJS-UHFFFAOYSA-N
XLogP-0.33
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,1,2,2,2-pentaacetyloxyethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentaacetyloxyethyl acetate?
The IUPAC name of 1,1,2,2,2-pentaacetyloxyethyl acetate (CID 71773968) is 1,1,2,2,2-pentaacetyloxyethyl acetate.
What is the SMILES notation for 1,1,2,2,2-pentaacetyloxyethyl acetate?
The canonical SMILES for 1,1,2,2,2-pentaacetyloxyethyl acetate is CC(=O)OC(OC(C)=O)(OC(C)=O)C(OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of 1,1,2,2,2-pentaacetyloxyethyl acetate?
The InChIKey is VPUCMYCFAOCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O12/c1-7(15)21-13(22-8(2)16,23-9(3)17)14(24-10(4)18,25-11(5)19)26-12(6)20/h1-6H3.
What are the key properties of 1,1,2,2,2-pentaacetyloxyethyl acetate?
1,1,2,2,2-pentaacetyloxyethyl acetate has a molecular weight of 378.29 g/mol, XLogP of -0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentaacetyloxyethyl acetate is sourced from PubChem (CID 71773968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).