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

C19H44O6Si4 — CID 163202770

IUPAC(3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
SMILESC[Si](C)(C)OC[C@H](C[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H44O6Si4/c1-26(2,3)21-14-15(23-27(4,5)6)13-16-17(24-28(7,8)9)18(19(20)22-16)25-29(10,11)12/h15-18H,13-14H2,1-12H3/t15-,16+,17-,18+/m0/s1
InChIKeySPCIHMRISGHZSW-XWTMOSNGSA-N
MW480.90 g/mol
LogP4.81
Rot. Bonds11

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

(3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (PubChem CID 163202770) has the molecular formula C19H44O6Si4 and a molecular weight of 480.90 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
PubChem CID163202770
Molecular FormulaC19H44O6Si4
Molecular Weight480.90 g/mol
Exact Mass480.22
IUPAC Name(3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
SMILESC[Si](C)(C)OC[C@H](C[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H44O6Si4/c1-26(2,3)21-14-15(23-27(4,5)6)13-16-17(24-28(7,8)9)18(19(20)22-16)25-29(10,11)12/h15-18H,13-14H2,1-12H3/t15-,16+,17-,18+/m0/s1
InChIKeySPCIHMRISGHZSW-XWTMOSNGSA-N
XLogP4.81
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.90
LogP ≤ 54.81
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,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (CID 163202770) is (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one is C[Si](C)(C)OC[C@H](C[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The InChIKey is SPCIHMRISGHZSW-XWTMOSNGSA-N. The full InChI is InChI=1S/C19H44O6Si4/c1-26(2,3)21-14-15(23-27(4,5)6)13-16-17(24-28(7,8)9)18(19(20)22-16)25-29(10,11)12/h15-18H,13-14H2,1-12H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
(3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one has a molecular weight of 480.90 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[(2S)-2,3-bis(trimethylsilyloxy)propyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one is sourced from PubChem (CID 163202770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).