(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one

C16H30O3Si — CID 146018116

IUPAC(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@]1(C)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O3Si/c1-11(2)16(7)12(3)13(19-14(16)17)10-18-20(8,9)15(4,5)6/h12-13H,1,10H2,2-9H3/t12-,13-,16+/m1/s1
InChIKeyVRMAHNPFJHZSRY-IOASZLSFSA-N
MW298.50 g/mol
LogP4.15
Rot. Bonds4

About (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one (PubChem CID 146018116) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
PubChem CID146018116
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@]1(C)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O3Si/c1-11(2)16(7)12(3)13(19-14(16)17)10-18-20(8,9)15(4,5)6/h12-13H,1,10H2,2-9H3/t12-,13-,16+/m1/s1
InChIKeyVRMAHNPFJHZSRY-IOASZLSFSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 146018117
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10759622
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10332655
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10422563
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10445854
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-propan-2-yloxolan-2-one
CID 10542120
(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 10828947
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
CID 11065526
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
CID 11086842
(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 11808682
(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one
CID 15396605

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one (CID 146018116) is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one is C=C(C)[C@]1(C)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one?
The InChIKey is VRMAHNPFJHZSRY-IOASZLSFSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-11(2)16(7)12(3)13(19-14(16)17)10-18-20(8,9)15(4,5)6/h12-13H,1,10H2,2-9H3/t12-,13-,16+/m1/s1.
What are the key properties of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one?
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one has a molecular weight of 298.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 146018116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).