tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane

C24H48O3Si2 — CID 91078694

IUPACtert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=CC)O1
InChIInChI=1S/C24H48O3Si2/c1-14-16-20-18(3)21(27-29(12,13)24(7,8)9)17-22(25-20)19(15-2)26-28(10,11)23(4,5)6/h14-16,18-22H,2,17H2,1,3-13H3/t18-,19-,20+,21-,22+/m0/s1
InChIKeyFVOGAODTIQHPCF-BIRZXAFVSA-N
MW440.82 g/mol
LogP7.32
Rot. Bonds7

About tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 91078694) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
PubChem CID91078694
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Nametert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=CC)O1
InChIInChI=1S/C24H48O3Si2/c1-14-16-20-18(3)21(27-29(12,13)24(7,8)9)17-22(25-20)19(15-2)26-28(10,11)23(4,5)6/h14-16,18-22H,2,17H2,1,3-13H3/t18-,19-,20+,21-,22+/m0/s1
InChIKeyFVOGAODTIQHPCF-BIRZXAFVSA-N
XLogP7.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.32
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

(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 11472865
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-prop-1-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90771901
tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175776548
[(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10247580
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
(E)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylcyclopentyl]oct-1-en-3-ol
CID 101200500
(3S,4R,5R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-4-ethenyl-5-[(E)-hydroxyiminomethyl]oxolan-2-one
CID 177424845
2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 101451500
2-[(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(1Z,3E,6E,9E,11Z)-12-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxyethyl)-3-methyloxan-2-yl]-2,11-dimethyldodeca-1,3,6,9,11-pentaenyl]-5-methyloxan-2-yl]ethanol
CID 11513272
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane (CID 91078694) is tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=CC)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is FVOGAODTIQHPCF-BIRZXAFVSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-14-16-20-18(3)21(27-29(12,13)24(7,8)9)17-22(25-20)19(15-2)26-28(10,11)23(4,5)6/h14-16,18-22H,2,17H2,1,3-13H3/t18-,19-,20+,21-,22+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 440.82 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 91078694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).