tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane

C22H44O2Si2 — CID 10596925

IUPACtert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
SMILESCC(C)=CCC[C@]1(C)C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-18(2)13-12-16-22(6)17-19(23-25(7,8)9)14-15-20(22)24-26(10,11)21(3,4)5/h13,17,20H,12,14-16H2,1-11H3/t20-,22-/m1/s1
InChIKeyCAVBTCWYTWTNKV-IFMALSPDSA-N
MW396.76 g/mol
LogP7.66
Rot. Bonds7

About tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane (PubChem CID 10596925) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
PubChem CID10596925
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
SMILESCC(C)=CCC[C@]1(C)C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-18(2)13-12-16-22(6)17-19(23-25(7,8)9)14-15-20(22)24-26(10,11)21(3,4)5/h13,17,20H,12,14-16H2,1-11H3/t20-,22-/m1/s1
InChIKeyCAVBTCWYTWTNKV-IFMALSPDSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.66
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

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
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-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 14951420
[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 21578153
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
CID 134983644
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636545
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636587
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636588
tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
CID 18636604

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane (CID 10596925) is tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane is CC(C)=CCC[C@]1(C)C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane?
The InChIKey is CAVBTCWYTWTNKV-IFMALSPDSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-18(2)13-12-16-22(6)17-19(23-25(7,8)9)14-15-20(22)24-26(10,11)21(3,4)5/h13,17,20H,12,14-16H2,1-11H3/t20-,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane has a molecular weight of 396.76 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 10596925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).