tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane

C23H48O2Si2 — CID 10764190

IUPACtert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane
SMILESC[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H48O2Si2/c1-18-13-15-20(19(2)17-24-26(9,10)22(3,4)5)21(16-14-18)25-27(11,12)23(6,7)8/h14,16,18-21H,13,15,17H2,1-12H3/t18-,19+,20-,21-/m0/s1
InChIKeyLKYTVHICSYJBME-WOZUAGRISA-N
MW412.81 g/mol
LogP7.64
Rot. Bonds6

About tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane

tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane (PubChem CID 10764190) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane
PubChem CID10764190
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane
SMILESC[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H48O2Si2/c1-18-13-15-20(19(2)17-24-26(9,10)22(3,4)5)21(16-14-18)25-27(11,12)23(6,7)8/h14,16,18-21H,13,15,17H2,1-12H3/t18-,19+,20-,21-/m0/s1
InChIKeyLKYTVHICSYJBME-WOZUAGRISA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
CID 139255317
tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
CID 18636604
tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane
CID 18636608
tert-butyl-dimethyl-[(3S)-4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
CID 18636643

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane (CID 10764190) is tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane is C[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane?
The InChIKey is LKYTVHICSYJBME-WOZUAGRISA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-18-13-15-20(19(2)17-24-26(9,10)22(3,4)5)21(16-14-18)25-27(11,12)23(6,7)8/h14,16,18-21H,13,15,17H2,1-12H3/t18-,19+,20-,21-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane?
tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane has a molecular weight of 412.81 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 10764190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).