3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one

C20H38O2Si — CID 173336591

IUPAC3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-20(2,3)18(11-7-6-8-15-22-23(4)5)14-13-17-10-9-12-19(21)16-17/h13-14,17-18,23H,6-12,15-16H2,1-5H3
InChIKeyZQCMAHMGXOMBFC-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.52
Rot. Bonds9

About 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one

3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one (PubChem CID 173336591) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one
PubChem CID173336591
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-20(2,3)18(11-7-6-8-15-22-23(4)5)14-13-17-10-9-12-19(21)16-17/h13-14,17-18,23H,6-12,15-16H2,1-5H3
InChIKeyZQCMAHMGXOMBFC-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.52
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-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one?
The IUPAC name of 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one (CID 173336591) is 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one?
The canonical SMILES for 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one is C[SiH](C)OCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one?
The InChIKey is ZQCMAHMGXOMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-20(2,3)18(11-7-6-8-15-22-23(4)5)14-13-17-10-9-12-19(21)16-17/h13-14,17-18,23H,6-12,15-16H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one?
3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one has a molecular weight of 338.61 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one is sourced from PubChem (CID 173336591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).