6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one

C22H30O2Si — CID 15889737

IUPAC6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one
SMILESCC(=O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(23)13-11-12-18-24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17H,11-13,18H2,1-4H3
InChIKeyRQHMNCZMHCNOEO-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.32
Rot. Bonds8

About 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one

6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one (PubChem CID 15889737) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one
PubChem CID15889737
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one
SMILESCC(=O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(23)13-11-12-18-24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17H,11-13,18H2,1-4H3
InChIKeyRQHMNCZMHCNOEO-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.32
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 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one (CID 15889737) is 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one is CC(=O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one?
The InChIKey is RQHMNCZMHCNOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-19(23)13-11-12-18-24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-17H,11-13,18H2,1-4H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one?
6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one has a molecular weight of 354.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxyhexan-2-one is sourced from PubChem (CID 15889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).