3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one

C25H48O2Si — CID 15071506

IUPAC3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
SMILESC/C(=C\C1CC(=O)CCC1C(C)C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O2Si/c1-18(2)25-14-13-24(26)17-23(25)16-22(9)12-10-11-15-27-28(19(3)4,20(5)6)21(7)8/h16,18-21,23,25H,10-15,17H2,1-9H3/b22-16+
InChIKeyXGOSUUFNNMSPEF-CJLVFECKSA-N
MW408.74 g/mol
LogP7.94
Rot. Bonds11

About 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one

3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 15071506) has the molecular formula C25H48O2Si and a molecular weight of 408.74 g/mol. Its IUPAC name is 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID15071506
Molecular FormulaC25H48O2Si
Molecular Weight408.74 g/mol
Exact Mass408.34
IUPAC Name3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
SMILESC/C(=C\C1CC(=O)CCC1C(C)C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O2Si/c1-18(2)25-14-13-24(26)17-23(25)16-22(9)12-10-11-15-27-28(19(3)4,20(5)6)21(7)8/h16,18-21,23,25H,10-15,17H2,1-9H3/b22-16+
InChIKeyXGOSUUFNNMSPEF-CJLVFECKSA-N
XLogP7.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(2S,3R,6S)-2-[(1R,2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienyl]-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 102160305
(1R,3E,7E,9R,10S,12S,14R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyl-14-propan-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 139037992
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
CID 11395717
cis-(2R,4R)-3,3-dimethyl-4-(3-methylbut-2-enyl)-2-[(1R)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]cyclohexan-1-one
CID 11683250
(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
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
(2S,3R,6S)-2-[(1R,2E)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,7-dienyl]-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 134834299
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one (CID 15071506) is 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one is C/C(=C\C1CC(=O)CCC1C(C)C)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is XGOSUUFNNMSPEF-CJLVFECKSA-N. The full InChI is InChI=1S/C25H48O2Si/c1-18(2)25-14-13-24(26)17-23(25)16-22(9)12-10-11-15-27-28(19(3)4,20(5)6)21(7)8/h16,18-21,23,25H,10-15,17H2,1-9H3/b22-16+.
What are the key properties of 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one?
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 408.74 g/mol, XLogP of 7.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 15071506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).