2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one

C18H32O2Si — CID 164667305

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3
InChIKeyDBGLDQFSPZCQQC-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.45
Rot. Bonds3

About 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one

2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one (PubChem CID 164667305) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
PubChem CID164667305
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3
InChIKeyDBGLDQFSPZCQQC-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.45
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

trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one
CID 11335900
(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
CID 11395717
(4aS,5S,9aR)-7-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilyl-1,2,3,4,4a,5,8,9a-octahydrobenzo[7]annulen-9-one
CID 14944237
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
(5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-6-pentylcyclohept-3-en-1-one
CID 16107327
(4aS,5S,9aS)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-1,2,3,4,4a,5,8,9a-octahydrobenzo[7]annulen-9-one
CID 16107352
(3aR,9aS,9bR)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-1-one
CID 44475636
(3R,4aS,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 44632082
1-[(3aR,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,7,7a-tetrahydro-1H-inden-3a-yl]ethanone
CID 71518304
1-[(1R,2S,5S)-2,5-dimethyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257272
1-[(1R,2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylcyclohex-3-en-1-yl]propan-1-one
CID 102257278
1-[(1R,2S)-2-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257279

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one (CID 164667305) is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The InChIKey is DBGLDQFSPZCQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one has a molecular weight of 308.54 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one is sourced from PubChem (CID 164667305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).