3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one

C27H40O2Si — CID 59549979

IUPAC3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one
SMILESCCCCCCCC(=O)C(CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si/c1-6-8-9-10-17-22-25(28)26(7-2)29-30(27(3,4)5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,26H,6-10,17,22H2,1-5H3
InChIKeySEUOUDGYISOKCC-UHFFFAOYSA-N
MW424.70 g/mol
LogP6.27
Rot. Bonds12

About 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one

3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one (PubChem CID 59549979) has the molecular formula C27H40O2Si and a molecular weight of 424.70 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one
PubChem CID59549979
Molecular FormulaC27H40O2Si
Molecular Weight424.70 g/mol
Exact Mass424.28
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one
SMILESCCCCCCCC(=O)C(CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si/c1-6-8-9-10-17-22-25(28)26(7-2)29-30(27(3,4)5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,26H,6-10,17,22H2,1-5H3
InChIKeySEUOUDGYISOKCC-UHFFFAOYSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 56.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one (CID 59549979) is 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one is CCCCCCCC(=O)C(CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one?
The InChIKey is SEUOUDGYISOKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2Si/c1-6-8-9-10-17-22-25(28)26(7-2)29-30(27(3,4)5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,26H,6-10,17,22H2,1-5H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one?
3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one has a molecular weight of 424.70 g/mol, XLogP of 6.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxyundecan-4-one is sourced from PubChem (CID 59549979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).