1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one

C24H50O6Si3 — CID 173391374

IUPAC1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one
SMILESCC(=O)CC1OCC(C(C)(C)C2(C)OC2C(C)C(C)O[SiH3])C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C24H50O6Si3/c1-15(25)13-19-21(30-33(10,11)12)20(29-32(7,8)9)18(14-26-19)23(4,5)24(6)22(27-24)16(2)17(3)28-31/h16-22H,13-14H2,1-12,31H3
InChIKeyNJACTMLGGDLVMI-UHFFFAOYSA-N
MW518.92 g/mol
LogP3.93
Rot. Bonds11

About 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one

1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one (PubChem CID 173391374) has the molecular formula C24H50O6Si3 and a molecular weight of 518.92 g/mol. Its IUPAC name is 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one
PubChem CID173391374
Molecular FormulaC24H50O6Si3
Molecular Weight518.92 g/mol
Exact Mass518.29
IUPAC Name1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one
SMILESCC(=O)CC1OCC(C(C)(C)C2(C)OC2C(C)C(C)O[SiH3])C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C24H50O6Si3/c1-15(25)13-19-21(30-33(10,11)12)20(29-32(7,8)9)18(14-26-19)23(4,5)24(6)22(27-24)16(2)17(3)28-31/h16-22H,13-14H2,1-12,31H3
InChIKeyNJACTMLGGDLVMI-UHFFFAOYSA-N
XLogP3.93
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.92
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one?
The IUPAC name of 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one (CID 173391374) is 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one is CC(=O)CC1OCC(C(C)(C)C2(C)OC2C(C)C(C)O[SiH3])C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one?
The InChIKey is NJACTMLGGDLVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O6Si3/c1-15(25)13-19-21(30-33(10,11)12)20(29-32(7,8)9)18(14-26-19)23(4,5)24(6)22(27-24)16(2)17(3)28-31/h16-22H,13-14H2,1-12,31H3.
What are the key properties of 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one?
1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one has a molecular weight of 518.92 g/mol, XLogP of 3.93, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one is sourced from PubChem (CID 173391374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).