cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one

C24H32O2Si — CID 129409596

IUPACcis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
SMILESC[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C24H32O2Si/c1-19-15-16-20(17-23(19)25)18-26-27(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3/t19-,20+/m1/s1
InChIKeyBTYZTXBLMDHSDR-UXHICEINSA-N
MW380.60 g/mol
LogP4.57
Rot. Bonds5

About cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one

cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one (PubChem CID 129409596) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
PubChem CID129409596
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Namecis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
SMILESC[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C24H32O2Si/c1-19-15-16-20(17-23(19)25)18-26-27(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3/t19-,20+/m1/s1
InChIKeyBTYZTXBLMDHSDR-UXHICEINSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-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

Related Compounds

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684

Frequently Asked Questions

What is the IUPAC name of cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The IUPAC name of cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one (CID 129409596) is cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The canonical SMILES for cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one is C[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.
What is the InChIKey of cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The InChIKey is BTYZTXBLMDHSDR-UXHICEINSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-19-15-16-20(17-23(19)25)18-26-27(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20H,15-18H2,1-4H3/t19-,20+/m1/s1.
What are the key properties of cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one has a molecular weight of 380.60 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 129409596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).