[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane

C23H46O3Si2 — CID 10949975

IUPAC[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1O[C@@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si2/c1-13-15-17-19-21(26-28(11,12)23(6,7)8)20(18(24-19)16-14-2)25-27(9,10)22(3,4)5/h13-14,18-21H,1-2,15-17H2,3-12H3/t18-,19+,20-,21-/m0/s1
InChIKeyWQSUCUHGHCWBIQ-WOZUAGRISA-N
MW426.79 g/mol
LogP7.08
Rot. Bonds9

About [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10949975) has the molecular formula C23H46O3Si2 and a molecular weight of 426.79 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10949975
Molecular FormulaC23H46O3Si2
Molecular Weight426.79 g/mol
Exact Mass426.30
IUPAC Name[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1O[C@@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si2/c1-13-15-17-19-21(26-28(11,12)23(6,7)8)20(18(24-19)16-14-2)25-27(9,10)22(3,4)5/h13-14,18-21H,1-2,15-17H2,3-12H3/t18-,19+,20-,21-/m0/s1
InChIKeyWQSUCUHGHCWBIQ-WOZUAGRISA-N
XLogP7.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.79
LogP ≤ 57.08
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,5R)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25138560
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
Tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylheptoxy]-dimethylsilane
CID 101937867
(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 134838049
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
[(2R,5S)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134862792
tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 134996026
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxynon-8-en-4-yl]oxy-dimethylsilane
CID 135014391
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane
CID 138977972

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 10949975) is [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane is C=CCC[C@H]1O[C@@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is WQSUCUHGHCWBIQ-WOZUAGRISA-N. The full InChI is InChI=1S/C23H46O3Si2/c1-13-15-17-19-21(26-28(11,12)23(6,7)8)20(18(24-19)16-14-2)25-27(9,10)22(3,4)5/h13-14,18-21H,1-2,15-17H2,3-12H3/t18-,19+,20-,21-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 426.79 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10949975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).