3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one

C23H44O2Si — CID 173336371

IUPAC3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-15-20(23(2,3)4)18-22(25-26(5)6)19-14-13-16-21(24)17-19/h18-20,26H,7-17H2,1-6H3/b22-18+
InChIKeyUOFNTJCXEKKPFH-RELWKKBWSA-N
MW380.69 g/mol
LogP7.04
Rot. Bonds11

About 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one

3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one (PubChem CID 173336371) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one
PubChem CID173336371
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-15-20(23(2,3)4)18-22(25-26(5)6)19-14-13-16-21(24)17-19/h18-20,26H,7-17H2,1-6H3/b22-18+
InChIKeyUOFNTJCXEKKPFH-RELWKKBWSA-N
XLogP7.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one (CID 173336371) is 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one is CCCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one?
The InChIKey is UOFNTJCXEKKPFH-RELWKKBWSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-15-20(23(2,3)4)18-22(25-26(5)6)19-14-13-16-21(24)17-19/h18-20,26H,7-17H2,1-6H3/b22-18+.
What are the key properties of 3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one?
3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one has a molecular weight of 380.69 g/mol, XLogP of 7.04, 11 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-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 173336371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).