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

C16H28O4Si — CID 10957943

IUPAC(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one
SMILESCC1(C)C[C@@H]([C@H]2C(=O)OC[C@H]2O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-12H,8-9H2,1-7H3/t10-,11+,12+/m0/s1
InChIKeyGCBWONUSWMVRSY-QJPTWQEYSA-N
MW312.48 g/mol
LogP3.16
Rot. Bonds3

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

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one (PubChem CID 10957943) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one
PubChem CID10957943
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one
SMILESCC1(C)C[C@@H]([C@H]2C(=O)OC[C@H]2O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-12H,8-9H2,1-7H3/t10-,11+,12+/m0/s1
InChIKeyGCBWONUSWMVRSY-QJPTWQEYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-(2-oxohexyl)oxolan-2-one
CID 10969529
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one
CID 11833945

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one?
The IUPAC name of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one (CID 10957943) is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one.
What is the SMILES notation for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one?
The canonical SMILES for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one is CC1(C)C[C@@H]([C@H]2C(=O)OC[C@H]2O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one?
The InChIKey is GCBWONUSWMVRSY-QJPTWQEYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-11-9-19-14(18)12(11)10-8-16(4,5)13(10)17/h10-12H,8-9H2,1-7H3/t10-,11+,12+/m0/s1.
What are the key properties of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one?
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one has a molecular weight of 312.48 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3,3-dimethyl-2-oxocyclobutyl]oxolan-2-one is sourced from PubChem (CID 10957943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).