3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one

C14H30O2Si — CID 135049549

IUPAC3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one
SMILESCCCCCCC(C(C)=O)[Si](C)(C)OC(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-9-10-11-14(13(4)15)17(5,6)16-12(2)3/h12,14H,7-11H2,1-6H3
InChIKeyZSSKJMHZBSASQM-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds9

About 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one

3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one (PubChem CID 135049549) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one.

Molecular Properties

Compound Name3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one
PubChem CID135049549
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one
SMILESCCCCCCC(C(C)=O)[Si](C)(C)OC(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-9-10-11-14(13(4)15)17(5,6)16-12(2)3/h12,14H,7-11H2,1-6H3
InChIKeyZSSKJMHZBSASQM-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
4-[Tert-butyl(dimethyl)silyl]peroxyoctan-2-one
CID 10612403
5-(Trimethylsilyl)decan-4-one
CID 12524698
3-Trimethylsilyloctan-2-one
CID 12524711
1-Trimethylsilylundecan-3-one
CID 13225586
1-Trimethylsilylundecan-2-one
CID 13737766
3-[Dimethyl(propan-2-yloxy)silyl]heptan-4-one
CID 72740800
2-[Dimethyl(propan-2-yloxy)silyl]nonan-3-one
CID 72740805
5-[Dimethyl(propan-2-yloxy)silyl]undecan-4-one
CID 134889798
2-[Dimethyl(propan-2-yloxy)silyl]hexan-3-one
CID 134890058
1-Trimethylsilyldodecane-2,5-dione
CID 134987671

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one?
The IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one (CID 135049549) is 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one.
What is the SMILES notation for 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one?
The canonical SMILES for 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one is CCCCCCC(C(C)=O)[Si](C)(C)OC(C)C.
What is the InChIKey of 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one?
The InChIKey is ZSSKJMHZBSASQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-7-8-9-10-11-14(13(4)15)17(5,6)16-12(2)3/h12,14H,7-11H2,1-6H3.
What are the key properties of 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one?
3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one has a molecular weight of 258.48 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(propan-2-yloxy)silyl]nonan-2-one is sourced from PubChem (CID 135049549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).