trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one

C18H34O2Si — CID 11335900

IUPACtrans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)CC1=O
InChIInChI=1S/C18H34O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,15-16H,8,10-13H2,1-7H3/t15-,16-,18+/m1/s1
InChIKeyJBPKMCPMBJQPDF-NUJGCVRESA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds6

About trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one

trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one (PubChem CID 11335900) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one
PubChem CID11335900
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametrans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)CC1=O
InChIInChI=1S/C18H34O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,15-16H,8,10-13H2,1-7H3/t15-,16-,18+/m1/s1
InChIKeyJBPKMCPMBJQPDF-NUJGCVRESA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one?
The IUPAC name of trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one (CID 11335900) is trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one.
What is the SMILES notation for trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one?
The canonical SMILES for trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one is CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)CC1=O.
What is the InChIKey of trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one?
The InChIKey is JBPKMCPMBJQPDF-NUJGCVRESA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,15-16H,8,10-13H2,1-7H3/t15-,16-,18+/m1/s1.
What are the key properties of trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one?
trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-5-methyl-2-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexan-1-one is sourced from PubChem (CID 11335900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).