tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane

C16H32OSi — CID 100917081

IUPACtert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESCC(C)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)CC1
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1
InChIKeyUFUVCDZJDAONMJ-CYBMUJFWSA-N
MW268.52 g/mol
LogP5.74
Rot. Bonds3

About tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane

tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane (PubChem CID 100917081) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane
PubChem CID100917081
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESCC(C)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)CC1
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1
InChIKeyUFUVCDZJDAONMJ-CYBMUJFWSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane (CID 100917081) is tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane is CC(C)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane?
The InChIKey is UFUVCDZJDAONMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane?
tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane is sourced from PubChem (CID 100917081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).