4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one

C30H38O2Si — CID 117070662

IUPAC4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one
SMILESCC12CCC=C3CC(CCCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(=O)C1C32
InChIInChI=1S/C30H38O2Si/c1-29(2,3)33(24-15-7-5-8-16-24,25-17-9-6-10-18-25)32-20-12-14-23-21-22-13-11-19-30(4)26(22)27(30)28(23)31/h5-10,13,15-18,23,26-27H,11-12,14,19-21H2,1-4H3
InChIKeySVXWLSYXLYSVIN-UHFFFAOYSA-N
MW458.72 g/mol
LogP5.90
Rot. Bonds7

About 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one

4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one (PubChem CID 117070662) has the molecular formula C30H38O2Si and a molecular weight of 458.72 g/mol. Its IUPAC name is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one
PubChem CID117070662
Molecular FormulaC30H38O2Si
Molecular Weight458.72 g/mol
Exact Mass458.26
IUPAC Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one
SMILESCC12CCC=C3CC(CCCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(=O)C1C32
InChIInChI=1S/C30H38O2Si/c1-29(2,3)33(24-15-7-5-8-16-24,25-17-9-6-10-18-25)32-20-12-14-23-21-22-13-11-19-30(4)26(22)27(30)28(23)31/h5-10,13,15-18,23,26-27H,11-12,14,19-21H2,1-4H3
InChIKeySVXWLSYXLYSVIN-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 55.90
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 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one with MolForge

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Related Compounds

3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
CID 178089202
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028

Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one?
The IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one (CID 117070662) is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one.
What is the SMILES notation for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one?
The canonical SMILES for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one is CC12CCC=C3CC(CCCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(=O)C1C32.
What is the InChIKey of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one?
The InChIKey is SVXWLSYXLYSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2Si/c1-29(2,3)33(24-15-7-5-8-16-24,25-17-9-6-10-18-25)32-20-12-14-23-21-22-13-11-19-30(4)26(22)27(30)28(23)31/h5-10,13,15-18,23,26-27H,11-12,14,19-21H2,1-4H3.
What are the key properties of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one?
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one has a molecular weight of 458.72 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one is sourced from PubChem (CID 117070662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).