tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

C22H46O2Si2 — CID 10763428

IUPACtert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H46O2Si2/c1-17-14-18(24-26(12,13)21(5,6)7)15-22(8,9)19(17)16-23-25(10,11)20(2,3)4/h18H,14-16H2,1-13H3/t18-/m1/s1
InChIKeyNCKWJTIDVHHBCJ-GOSISDBHSA-N
MW398.78 g/mol
LogP7.54
Rot. Bonds5

About tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 10763428) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID10763428
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H46O2Si2/c1-17-14-18(24-26(12,13)21(5,6)7)15-22(8,9)19(17)16-23-25(10,11)20(2,3)4/h18H,14-16H2,1-13H3/t18-/m1/s1
InChIKeyNCKWJTIDVHHBCJ-GOSISDBHSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.54
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'}

Analyze tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (CID 10763428) is tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is CC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is NCKWJTIDVHHBCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-17-14-18(24-26(12,13)21(5,6)7)15-22(8,9)19(17)16-23-25(10,11)20(2,3)4/h18H,14-16H2,1-13H3/t18-/m1/s1.
What are the key properties of tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10763428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).