(4-acetyloxy-2,3,5-trimethoxypentyl) acetate

C12H22O7 — CID 576116

IUPAC(4-acetyloxy-2,3,5-trimethoxypentyl) acetate
SMILESCOCC(OC(C)=O)C(OC)C(COC(C)=O)OC
InChIInChI=1S/C12H22O7/c1-8(13)18-7-10(16-4)12(17-5)11(6-15-3)19-9(2)14/h10-12H,6-7H2,1-5H3
InChIKeyYHSLPTQQWRWXKO-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.16
Rot. Bonds9

About (4-acetyloxy-2,3,5-trimethoxypentyl) acetate

(4-acetyloxy-2,3,5-trimethoxypentyl) acetate (PubChem CID 576116) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is (4-acetyloxy-2,3,5-trimethoxypentyl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-2,3,5-trimethoxypentyl) acetate
PubChem CID576116
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name(4-acetyloxy-2,3,5-trimethoxypentyl) acetate
SMILESCOCC(OC(C)=O)C(OC)C(COC(C)=O)OC
InChIInChI=1S/C12H22O7/c1-8(13)18-7-10(16-4)12(17-5)11(6-15-3)19-9(2)14/h10-12H,6-7H2,1-5H3
InChIKeyYHSLPTQQWRWXKO-UHFFFAOYSA-N
XLogP0.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2,3,5-trimethoxypentyl) acetate?
The IUPAC name of (4-acetyloxy-2,3,5-trimethoxypentyl) acetate (CID 576116) is (4-acetyloxy-2,3,5-trimethoxypentyl) acetate.
What is the SMILES notation for (4-acetyloxy-2,3,5-trimethoxypentyl) acetate?
The canonical SMILES for (4-acetyloxy-2,3,5-trimethoxypentyl) acetate is COCC(OC(C)=O)C(OC)C(COC(C)=O)OC.
What is the InChIKey of (4-acetyloxy-2,3,5-trimethoxypentyl) acetate?
The InChIKey is YHSLPTQQWRWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-8(13)18-7-10(16-4)12(17-5)11(6-15-3)19-9(2)14/h10-12H,6-7H2,1-5H3.
What are the key properties of (4-acetyloxy-2,3,5-trimethoxypentyl) acetate?
(4-acetyloxy-2,3,5-trimethoxypentyl) acetate has a molecular weight of 278.30 g/mol, XLogP of 0.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2,3,5-trimethoxypentyl) acetate is sourced from PubChem (CID 576116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).