[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate

C18H32O8Si — CID 58435425

IUPAC[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OCC[Si](C)(C)C)C(OC(C)=O)C(C)C1OC(C)=O
InChIInChI=1S/C18H32O8Si/c1-11-16(24-13(3)20)15(10-23-12(2)19)26-18(17(11)25-14(4)21)22-8-9-27(5,6)7/h11,15-18H,8-10H2,1-7H3
InChIKeyHAKXPYSYVBXEKS-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.13
Rot. Bonds8

About [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate

[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate (PubChem CID 58435425) has the molecular formula C18H32O8Si and a molecular weight of 404.53 g/mol. Its IUPAC name is [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
PubChem CID58435425
Molecular FormulaC18H32O8Si
Molecular Weight404.53 g/mol
Exact Mass404.19
IUPAC Name[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OCC[Si](C)(C)C)C(OC(C)=O)C(C)C1OC(C)=O
InChIInChI=1S/C18H32O8Si/c1-11-16(24-13(3)20)15(10-23-12(2)19)26-18(17(11)25-14(4)21)22-8-9-27(5,6)7/h11,15-18H,8-10H2,1-7H3
InChIKeyHAKXPYSYVBXEKS-UHFFFAOYSA-N
XLogP2.13
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate (CID 58435425) is [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate is CC(=O)OCC1OC(OCC[Si](C)(C)C)C(OC(C)=O)C(C)C1OC(C)=O.
What is the InChIKey of [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The InChIKey is HAKXPYSYVBXEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O8Si/c1-11-16(24-13(3)20)15(10-23-12(2)19)26-18(17(11)25-14(4)21)22-8-9-27(5,6)7/h11,15-18H,8-10H2,1-7H3.
What are the key properties of [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
[3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate has a molecular weight of 404.53 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 58435425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).