cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one

C19H38O2Si — CID 11727148

IUPACcis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one
SMILESCC(C)[C@H]1CC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1
InChIInChI=1S/C19H38O2Si/c1-13(2)17-9-10-18(19(20)11-17)12-21-22(14(3)4,15(5)6)16(7)8/h13-18H,9-12H2,1-8H3/t17-,18+/m0/s1
InChIKeyCXGRJAKMBDDRIO-ZWKOTPCHSA-N
MW326.60 g/mol
LogP5.82
Rot. Bonds7

About cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one

cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one (PubChem CID 11727148) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one
PubChem CID11727148
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Namecis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one
SMILESCC(C)[C@H]1CC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1
InChIInChI=1S/C19H38O2Si/c1-13(2)17-9-10-18(19(20)11-17)12-21-22(14(3)4,15(5)6)16(7)8/h13-18H,9-12H2,1-8H3/t17-,18+/m0/s1
InChIKeyCXGRJAKMBDDRIO-ZWKOTPCHSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.82
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-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-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

3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone
CID 496447
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 11065998
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
1,2-Dicyclohexyl-1-trimethylsilyloxypentan-3-one
CID 134838782
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817

Frequently Asked Questions

What is the IUPAC name of cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one?
The IUPAC name of cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one (CID 11727148) is cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one.
What is the SMILES notation for cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one?
The canonical SMILES for cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one is CC(C)[C@H]1CC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1.
What is the InChIKey of cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one?
The InChIKey is CXGRJAKMBDDRIO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-13(2)17-9-10-18(19(20)11-17)12-21-22(14(3)4,15(5)6)16(7)8/h13-18H,9-12H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one?
cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one has a molecular weight of 326.60 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5S)-5-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclohexan-1-one is sourced from PubChem (CID 11727148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).