(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one

C18H42O6Si4 — CID 6427170

IUPAC(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14?,15-,16-,17+/m0/s1
InChIKeyFTOCXQVQZOFUDF-YNBOMUFVSA-N
MW466.87 g/mol
LogP4.42
Rot. Bonds10

About (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one

(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (PubChem CID 6427170) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
PubChem CID6427170
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Name(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14?,15-,16-,17+/m0/s1
InChIKeyFTOCXQVQZOFUDF-YNBOMUFVSA-N
XLogP4.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (CID 6427170) is (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one is C[Si](C)(C)OCC(O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The InChIKey is FTOCXQVQZOFUDF-YNBOMUFVSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14?,15-,16-,17+/m0/s1.
What are the key properties of (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one has a molecular weight of 466.87 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one is sourced from PubChem (CID 6427170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).