tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane

C20H42O2Si2 — CID 123801081

IUPACtert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11,13,17-18H,12,14-16H2,1-10H3/t17-,18+
InChIKeyJLJBWDWBASUKKW-HDICACEKSA-N
MW370.73 g/mol
LogP6.61
Rot. Bonds6

About tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane (PubChem CID 123801081) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane
PubChem CID123801081
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11,13,17-18H,12,14-16H2,1-10H3/t17-,18+
InChIKeyJLJBWDWBASUKKW-HDICACEKSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.61
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane (CID 123801081) is tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane?
The InChIKey is JLJBWDWBASUKKW-HDICACEKSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11,13,17-18H,12,14-16H2,1-10H3/t17-,18+.
What are the key properties of tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 123801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).