tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane

C16H32OSi — CID 58913831

IUPACtert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1C
InChIInChI=1S/C16H32OSi/c1-12-10-14(11-16(6,7)13(12)2)17-18(8,9)15(3,4)5/h10,13-14H,11H2,1-9H3/t13-,14+/m0/s1
InChIKeyHZYYGRVQBOFLQP-UONOGXRCSA-N
MW268.52 g/mol
LogP5.39
Rot. Bonds2

About tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane (PubChem CID 58913831) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane
PubChem CID58913831
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1C
InChIInChI=1S/C16H32OSi/c1-12-10-14(11-16(6,7)13(12)2)17-18(8,9)15(3,4)5/h10,13-14H,11H2,1-9H3/t13-,14+/m0/s1
InChIKeyHZYYGRVQBOFLQP-UONOGXRCSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane (CID 58913831) is tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@H]1C.
What is the InChIKey of tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane?
The InChIKey is HZYYGRVQBOFLQP-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12-10-14(11-16(6,7)13(12)2)17-18(8,9)15(3,4)5/h10,13-14H,11H2,1-9H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 58913831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).