(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one

C14H28O5Si — CID 90368979

IUPAC(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3/t10-,12+/m1/s1
InChIKeyPAYXAHFDBMHMIR-PWSUYJOCSA-N
MW304.46 g/mol
LogP2.70
Rot. Bonds6

About (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one

(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one (PubChem CID 90368979) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
PubChem CID90368979
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3/t10-,12+/m1/s1
InChIKeyPAYXAHFDBMHMIR-PWSUYJOCSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one (CID 90368979) is (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one is COC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
The InChIKey is PAYXAHFDBMHMIR-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-12(13(16-4)17-5)10-8-9-11(15)18-10/h10,12-13H,8-9H2,1-7H3/t10-,12+/m1/s1.
What are the key properties of (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one?
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one has a molecular weight of 304.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one is sourced from PubChem (CID 90368979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).