(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one

C14H28O3Si — CID 146018119

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C1(C)C
InChIInChI=1S/C14H28O3Si/c1-10-11(17-12(15)14(10,5)6)9-16-18(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t10-,11-/m1/s1
InChIKeySNSQLKFDCOCOJM-GHMZBOCLSA-N
MW272.46 g/mol
LogP3.60
Rot. Bonds3

About (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one (PubChem CID 146018119) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
PubChem CID146018119
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C1(C)C
InChIInChI=1S/C14H28O3Si/c1-10-11(17-12(15)14(10,5)6)9-16-18(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t10-,11-/m1/s1
InChIKeySNSQLKFDCOCOJM-GHMZBOCLSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10709198
(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
CID 10400493
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
CID 146018118
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547
(R)-4-([(tert-butyldimethylsilyl)oxy]methyl)-4-butyrolactone
CID 22849469
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 139776964
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10538293
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethyloxolan-2-one
CID 10587331

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one (CID 146018119) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one is C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C1(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one?
The InChIKey is SNSQLKFDCOCOJM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-11(17-12(15)14(10,5)6)9-16-18(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t10-,11-/m1/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one?
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one is sourced from PubChem (CID 146018119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).