cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one

C22H48O4Si3 — CID 58673049

IUPACcis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCC1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si3/c1-20(2,3)28(11,12)24-18-15-17(23)16-19(22(18,7)26-27(8,9)10)25-29(13,14)21(4,5)6/h18-19H,15-16H2,1-14H3/t18-,19+,22?
InChIKeyVXXUJBTVZCCIBN-QIDMFYOTSA-N
MW460.88 g/mol
LogP6.74
Rot. Bonds6

About cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one

cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 58673049) has the molecular formula C22H48O4Si3 and a molecular weight of 460.88 g/mol. Its IUPAC name is cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
PubChem CID58673049
Molecular FormulaC22H48O4Si3
Molecular Weight460.88 g/mol
Exact Mass460.29
IUPAC Namecis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCC1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si3/c1-20(2,3)28(11,12)24-18-15-17(23)16-19(22(18,7)26-27(8,9)10)25-29(13,14)21(4,5)6/h18-19H,15-16H2,1-14H3/t18-,19+,22?
InChIKeyVXXUJBTVZCCIBN-QIDMFYOTSA-N
XLogP6.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one 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 cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one (CID 58673049) is cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one is CC1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is VXXUJBTVZCCIBN-QIDMFYOTSA-N. The full InChI is InChI=1S/C22H48O4Si3/c1-20(2,3)28(11,12)24-18-15-17(23)16-19(22(18,7)26-27(8,9)10)25-29(13,14)21(4,5)6/h18-19H,15-16H2,1-14H3/t18-,19+,22?.
What are the key properties of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one?
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 460.88 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 58673049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).