(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one

C24H32O2Si — CID 11014406

IUPAC(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](OC[C@@]1(C)CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-23(2,3)27(20-13-7-5-8-14-20,21-15-9-6-10-16-21)26-19-24(4)18-12-11-17-22(24)25/h5-10,13-16H,11-12,17-19H2,1-4H3/t24-/m1/s1
InChIKeyRMGYRMBAXBSQCE-XMMPIXPASA-N
MW380.60 g/mol
LogP4.71
Rot. Bonds5

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

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one (PubChem CID 11014406) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
PubChem CID11014406
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](OC[C@@]1(C)CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-23(2,3)27(20-13-7-5-8-14-20,21-15-9-6-10-16-21)26-19-24(4)18-12-11-17-22(24)25/h5-10,13-16H,11-12,17-19H2,1-4H3/t24-/m1/s1
InChIKeyRMGYRMBAXBSQCE-XMMPIXPASA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
CID 24827824
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 175570904
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
CID 11362619
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
CID 11733221

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one (CID 11014406) is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The canonical SMILES for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one is CC(C)(C)[Si](OC[C@@]1(C)CCCCC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
The InChIKey is RMGYRMBAXBSQCE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32O2Si/c1-23(2,3)27(20-13-7-5-8-14-20,21-15-9-6-10-16-21)26-19-24(4)18-12-11-17-22(24)25/h5-10,13-16H,11-12,17-19H2,1-4H3/t24-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one?
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one has a molecular weight of 380.60 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 11014406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).