trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one

C19H40O3Si2 — CID 67591677

IUPACtrans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC(=O)C(C)[C@@H](O[Si](CC)(CC)CC)C1
InChIInChI=1S/C19H40O3Si2/c1-8-23(9-2,10-3)21-17-14-18(20)16(7)19(15-17)22-24(11-4,12-5)13-6/h16-17,19H,8-15H2,1-7H3/t16?,17-,19+/m1/s1
InChIKeyUVOSCRBFGMAGHF-QIONWKSUSA-N
MW372.70 g/mol
LogP5.77
Rot. Bonds10

About trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one

trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one (PubChem CID 67591677) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one
PubChem CID67591677
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Nametrans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC(=O)C(C)[C@@H](O[Si](CC)(CC)CC)C1
InChIInChI=1S/C19H40O3Si2/c1-8-23(9-2,10-3)21-17-14-18(20)16(7)19(15-17)22-24(11-4,12-5)13-6/h16-17,19H,8-15H2,1-7H3/t16?,17-,19+/m1/s1
InChIKeyUVOSCRBFGMAGHF-QIONWKSUSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one?
The IUPAC name of trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one (CID 67591677) is trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one.
What is the SMILES notation for trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one?
The canonical SMILES for trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one is CC[Si](CC)(CC)O[C@@H]1CC(=O)C(C)[C@@H](O[Si](CC)(CC)CC)C1.
What is the InChIKey of trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one?
The InChIKey is UVOSCRBFGMAGHF-QIONWKSUSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-8-23(9-2,10-3)21-17-14-18(20)16(7)19(15-17)22-24(11-4,12-5)13-6/h16-17,19H,8-15H2,1-7H3/t16?,17-,19+/m1/s1.
What are the key properties of trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one?
trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one has a molecular weight of 372.70 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5S)-2-methyl-3,5-bis(triethylsilyloxy)cyclohexan-1-one is sourced from PubChem (CID 67591677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).