(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate

C14H26O8 — CID 538739

IUPAC(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate
SMILESCOCC(OC(C)=O)C(OC)C(OC)C(COC(C)=O)OC
InChIInChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3
InChIKeyOVCJDQPBVXUBBF-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.17
Rot. Bonds11

About (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate

(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate (PubChem CID 538739) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate
PubChem CID538739
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate
SMILESCOCC(OC(C)=O)C(OC)C(OC)C(COC(C)=O)OC
InChIInChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3
InChIKeyOVCJDQPBVXUBBF-UHFFFAOYSA-N
XLogP0.17
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate?
The IUPAC name of (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate (CID 538739) is (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate.
What is the SMILES notation for (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate?
The canonical SMILES for (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate is COCC(OC(C)=O)C(OC)C(OC)C(COC(C)=O)OC.
What is the InChIKey of (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate?
The InChIKey is OVCJDQPBVXUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3.
What are the key properties of (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate?
(5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate has a molecular weight of 322.35 g/mol, XLogP of 0.17, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-2,3,4,6-tetramethoxyhexyl) acetate is sourced from PubChem (CID 538739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).