4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

C14H30O2Si — CID 174333445

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)CC
InChIInChI=1S/C14H30O2Si/c1-8-10-11-13(12(15)9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyNMOJKGXCMCOBIT-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (PubChem CID 174333445) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
PubChem CID174333445
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)CC
InChIInChI=1S/C14H30O2Si/c1-8-10-11-13(12(15)9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3
InChIKeyNMOJKGXCMCOBIT-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (CID 174333445) is 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one is CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)CC.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The InChIKey is NMOJKGXCMCOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-10-11-13(12(15)9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one has a molecular weight of 258.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyoctan-3-one is sourced from PubChem (CID 174333445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).