tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

C19H40O2Si2 — CID 91807174

IUPACtert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-15-12-13-16(20-22(8,9)18(2,3)4)14-17(15)21-23(10,11)19(5,6)7/h12,16-17H,13-14H2,1-11H3/t16-,17+/m1/s1
InChIKeyBYPPTWNNOQWKQP-SJORKVTESA-N
MW356.70 g/mol
LogP6.51
Rot. Bonds4

About tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 91807174) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID91807174
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-15-12-13-16(20-22(8,9)18(2,3)4)14-17(15)21-23(10,11)19(5,6)7/h12,16-17H,13-14H2,1-11H3/t16-,17+/m1/s1
InChIKeyBYPPTWNNOQWKQP-SJORKVTESA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.51
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-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 91807174) is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is CC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is BYPPTWNNOQWKQP-SJORKVTESA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-15-12-13-16(20-22(8,9)18(2,3)4)14-17(15)21-23(10,11)19(5,6)7/h12,16-17H,13-14H2,1-11H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 91807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).