2,3,4,5-tetraacetyloxyhexyl acetate

C16H24O10 — CID 539115

IUPAC2,3,4,5-tetraacetyloxyhexyl acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C)OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(23-10(3)18)15(25-12(5)20)16(26-13(6)21)14(24-11(4)19)7-22-9(2)17/h8,14-16H,7H2,1-6H3
InChIKeyCZLGYDMUTMQWDY-UHFFFAOYSA-N
MW376.36 g/mol
LogP0.30
Rot. Bonds9

About 2,3,4,5-tetraacetyloxyhexyl acetate

2,3,4,5-tetraacetyloxyhexyl acetate (PubChem CID 539115) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2,3,4,5-tetraacetyloxyhexyl acetate.

Molecular Properties

Compound Name2,3,4,5-tetraacetyloxyhexyl acetate
PubChem CID539115
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name2,3,4,5-tetraacetyloxyhexyl acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C)OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(23-10(3)18)15(25-12(5)20)16(26-13(6)21)14(24-11(4)19)7-22-9(2)17/h8,14-16H,7H2,1-6H3
InChIKeyCZLGYDMUTMQWDY-UHFFFAOYSA-N
XLogP0.30
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

CID 2723636
CID 2723636
CID 2724702
CID 2724702
CID 226786
CID 226786
CID 94752
CID 94752
CID 228282
CID 228282
CID 539123
CID 539123
CID 9802952
CID 9802952
CID 231561
CID 231561
CID 11741089
CID 11741089
CID 22848810
CID 22848810
CID 15608077
CID 15608077
CID 79064
CID 79064

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraacetyloxyhexyl acetate?
The IUPAC name of 2,3,4,5-tetraacetyloxyhexyl acetate (CID 539115) is 2,3,4,5-tetraacetyloxyhexyl acetate.
What is the SMILES notation for 2,3,4,5-tetraacetyloxyhexyl acetate?
The canonical SMILES for 2,3,4,5-tetraacetyloxyhexyl acetate is CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C)OC(C)=O.
What is the InChIKey of 2,3,4,5-tetraacetyloxyhexyl acetate?
The InChIKey is CZLGYDMUTMQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O10/c1-8(23-10(3)18)15(25-12(5)20)16(26-13(6)21)14(24-11(4)19)7-22-9(2)17/h8,14-16H,7H2,1-6H3.
What are the key properties of 2,3,4,5-tetraacetyloxyhexyl acetate?
2,3,4,5-tetraacetyloxyhexyl acetate has a molecular weight of 376.36 g/mol, XLogP of 0.30, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraacetyloxyhexyl acetate is sourced from PubChem (CID 539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).