(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one

C15H32O2Si — CID 10333462

IUPAC(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one
SMILESCCCC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyVTSPCAZFOCPQEB-ZDUSSCGKSA-N
MW272.50 g/mol
LogP4.94
Rot. Bonds8

About (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one

(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one (PubChem CID 10333462) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one.

Molecular Properties

Compound Name(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one
PubChem CID10333462
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one
SMILESCCCC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyVTSPCAZFOCPQEB-ZDUSSCGKSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Tert-butyldimethylsilyloxy)cyclooctanone
CID 10978090
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 10900820
6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
6-[Tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
CID 25111743
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(4S)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 102293907
(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
CID 134838241

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one?
The IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one (CID 10333462) is (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one.
What is the SMILES notation for (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one?
The canonical SMILES for (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one is CCCC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one?
The InChIKey is VTSPCAZFOCPQEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one?
(8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one has a molecular weight of 272.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[tert-butyl(dimethyl)silyl]oxynonan-4-one is sourced from PubChem (CID 10333462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).