3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one

C22H42O2Si — CID 173336615

IUPAC3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-22(2,3)20(16-15-19-12-11-14-21(23)18-19)13-9-7-6-8-10-17-24-25(4)5/h15-16,19-20,25H,6-14,17-18H2,1-5H3
InChIKeyXCCVCNZLWIAYJF-UHFFFAOYSA-N
MW366.66 g/mol
LogP6.30
Rot. Bonds11

About 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one

3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one (PubChem CID 173336615) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one
PubChem CID173336615
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-22(2,3)20(16-15-19-12-11-14-21(23)18-19)13-9-7-6-8-10-17-24-25(4)5/h15-16,19-20,25H,6-14,17-18H2,1-5H3
InChIKeyXCCVCNZLWIAYJF-UHFFFAOYSA-N
XLogP6.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.30
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-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one?
The IUPAC name of 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one (CID 173336615) is 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one?
The canonical SMILES for 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one is C[SiH](C)OCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one?
The InChIKey is XCCVCNZLWIAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-22(2,3)20(16-15-19-12-11-14-21(23)18-19)13-9-7-6-8-10-17-24-25(4)5/h15-16,19-20,25H,6-14,17-18H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one?
3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one has a molecular weight of 366.66 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one is sourced from PubChem (CID 173336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).