(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one

C16H30O4Si — CID 11782042

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
SMILES[2H]C1([C@H]2CC(C)(C)[C@@H]2O)C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-13,17H,8-9H2,1-7H3/t10-,11-,12?,13-/m1/s1/i12D
InChIKeyQUGDVUNCLJHOLV-PGQIXLQZSA-N
MW315.50 g/mol
LogP2.96
Rot. Bonds3

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one (PubChem CID 11782042) has the molecular formula C16H30O4Si and a molecular weight of 315.50 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
PubChem CID11782042
Molecular FormulaC16H30O4Si
Molecular Weight315.50 g/mol
Exact Mass315.20
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
SMILES[2H]C1([C@H]2CC(C)(C)[C@@H]2O)C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-13,17H,8-9H2,1-7H3/t10-,11-,12?,13-/m1/s1/i12D
InChIKeyQUGDVUNCLJHOLV-PGQIXLQZSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S,2S)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 10935946
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 11809208
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 10870755
(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 102259375
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 135011853
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S,2S)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 135011854
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
CID 10903190
(1S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(1S)-1,2-dihydroxyethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 10915329
(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one
CID 11034008
(1S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(1R)-1,2-dihydroxyethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 11132097
(2S,3S,5S)-5-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxooxolan-2-yl]-3-hydroxy-5-methoxy-2-methylpentanal
CID 49793733
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-hydroxy-1-methoxypropyl]-3,3-dimethyloxolan-2-one
CID 49794848

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one (CID 11782042) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one is [2H]C1([C@H]2CC(C)(C)[C@@H]2O)C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The InChIKey is QUGDVUNCLJHOLV-PGQIXLQZSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-13,17H,8-9H2,1-7H3/t10-,11-,12?,13-/m1/s1/i12D.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one has a molecular weight of 315.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuterio-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one is sourced from PubChem (CID 11782042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).