(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one

C16H34O2Si — CID 11716179

IUPAC(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CC
InChIInChI=1S/C16H34O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h13-14,16H,8-12H2,1-7H3/t13-,14+,16-/m0/s1
InChIKeyOZGDVCKFMASAOV-LZWOXQAQSA-N
MW286.53 g/mol
LogP5.04
Rot. Bonds10

About (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one

(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one (PubChem CID 11716179) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one.

Molecular Properties

Compound Name(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
PubChem CID11716179
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CC
InChIInChI=1S/C16H34O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h13-14,16H,8-12H2,1-7H3/t13-,14+,16-/m0/s1
InChIKeyOZGDVCKFMASAOV-LZWOXQAQSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.04
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 (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one?
The IUPAC name of (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one (CID 11716179) is (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one.
What is the SMILES notation for (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one?
The canonical SMILES for (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one is CCC(=O)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CC.
What is the InChIKey of (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one?
The InChIKey is OZGDVCKFMASAOV-LZWOXQAQSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-13(6)16(14(7)15(17)9-2)18-19(10-3,11-4)12-5/h13-14,16H,8-12H2,1-7H3/t13-,14+,16-/m0/s1.
What are the key properties of (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one?
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one has a molecular weight of 286.53 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one is sourced from PubChem (CID 11716179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).