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

C16H30O3Si2 — CID 11267379

IUPAC(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si2/c1-16(2,3)21(7,8)19-14-12-18-15(17)13(14)10-9-11-20(4,5)6/h13-14H,10,12H2,1-8H3/t13-,14-/m0/s1
InChIKeyJBUNCJPMCSSQPR-KBPBESRZSA-N
MW326.59 g/mol
LogP3.82
Rot. Bonds3

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

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one (PubChem CID 11267379) has the molecular formula C16H30O3Si2 and a molecular weight of 326.59 g/mol. Its IUPAC name is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
PubChem CID11267379
Molecular FormulaC16H30O3Si2
Molecular Weight326.59 g/mol
Exact Mass326.17
IUPAC Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si2/c1-16(2,3)21(7,8)19-14-12-18-15(17)13(14)10-9-11-20(4,5)6/h13-14H,10,12H2,1-8H3/t13-,14-/m0/s1
InChIKeyJBUNCJPMCSSQPR-KBPBESRZSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 10343773
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one
CID 10716280
tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 56616320
(2R,3R,4R)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-hexa-2,4-diynylcyclopentan-1-one
CID 134885322
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
prop-2-enyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxy-2-oxoethyl)-2-oxooxane-3-carboxylate
CID 71545558
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11453496
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one
CID 173349445
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one?
The IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one (CID 11267379) is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one.
What is the SMILES notation for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one?
The canonical SMILES for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@H]1CC#C[Si](C)(C)C.
What is the InChIKey of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one?
The InChIKey is JBUNCJPMCSSQPR-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30O3Si2/c1-16(2,3)21(7,8)19-14-12-18-15(17)13(14)10-9-11-20(4,5)6/h13-14H,10,12H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one?
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one has a molecular weight of 326.59 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one is sourced from PubChem (CID 11267379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).