3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one

C23H44O2Si — CID 173336374

IUPAC3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-23(2,3)21(17-16-20-13-12-15-22(24)19-20)14-10-8-6-7-9-11-18-25-26(4)5/h16-17,20-21,26H,6-15,18-19H2,1-5H3
InChIKeyXVBUIZRRWWKLMJ-UHFFFAOYSA-N
MW380.69 g/mol
LogP6.69
Rot. Bonds12

About 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one

3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one (PubChem CID 173336374) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one
PubChem CID173336374
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one
SMILESC[SiH](C)OCCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-23(2,3)21(17-16-20-13-12-15-22(24)19-20)14-10-8-6-7-9-11-18-25-26(4)5/h16-17,20-21,26H,6-15,18-19H2,1-5H3
InChIKeyXVBUIZRRWWKLMJ-UHFFFAOYSA-N
XLogP6.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 56.69
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-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one?
The IUPAC name of 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one (CID 173336374) is 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one?
The canonical SMILES for 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one is C[SiH](C)OCCCCCCCCC(C=CC1CCCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one?
The InChIKey is XVBUIZRRWWKLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-23(2,3)21(17-16-20-13-12-15-22(24)19-20)14-10-8-6-7-9-11-18-25-26(4)5/h16-17,20-21,26H,6-15,18-19H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one?
3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one has a molecular weight of 380.69 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one is sourced from PubChem (CID 173336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).