3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one

C22H42O2Si — CID 19042234

IUPAC3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-15-21(24-25(5,6)22(2,3)4)17-16-19-13-12-14-20(23)18-19/h16-17,19,21H,7-15,18H2,1-6H3/b17-16+
InChIKeyIITSETMPICENDE-WUKNDPDISA-N
MW366.66 g/mol
LogP7.05
Rot. Bonds10

About 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one

3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one (PubChem CID 19042234) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
PubChem CID19042234
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-15-21(24-25(5,6)22(2,3)4)17-16-19-13-12-14-20(23)18-19/h16-17,19,21H,7-15,18H2,1-6H3/b17-16+
InChIKeyIITSETMPICENDE-WUKNDPDISA-N
XLogP7.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 57.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one (CID 19042234) is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one is CCCCCCCC(/C=C/C1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one?
The InChIKey is IITSETMPICENDE-WUKNDPDISA-N. The full InChI is InChI=1S/C22H42O2Si/c1-7-8-9-10-11-15-21(24-25(5,6)22(2,3)4)17-16-19-13-12-14-20(23)18-19/h16-17,19,21H,7-15,18H2,1-6H3/b17-16+.
What are the key properties of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one?
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one has a molecular weight of 366.66 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 19042234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).