(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one

C14H32O3Si2 — CID 135036795

IUPAC(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
SMILESCCCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(C)=O
InChIInChI=1S/C14H32O3Si2/c1-9-10-11-13(16-18(3,4)5)14(12(2)15)17-19(6,7)8/h13-14H,9-11H2,1-8H3/t13-,14-/m1/s1
InChIKeyISMOCEPOLDUSPQ-ZIAGYGMSSA-N
MW304.58 g/mol
LogP4.21
Rot. Bonds9

About (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one

(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one (PubChem CID 135036795) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
PubChem CID135036795
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Name(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
SMILESCCCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(C)=O
InChIInChI=1S/C14H32O3Si2/c1-9-10-11-13(16-18(3,4)5)14(12(2)15)17-19(6,7)8/h13-14H,9-11H2,1-8H3/t13-,14-/m1/s1
InChIKeyISMOCEPOLDUSPQ-ZIAGYGMSSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
2-Hydroxyoctanoic acid, 2TMS derivative
CID 91730031
(3R,4S)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadecan-2-one
CID 134846351
(4R)-4-trimethylsilyloxyoctan-2-one
CID 135036825
4-Trimethylsilyloxynonan-2-one
CID 13704473
2,3-Bis(trimethylsilyloxy)tridecanal
CID 23528950
(2S,3R)-2,3-bis(trimethylsilyloxy)tridecanal
CID 60128003
1-Trimethylsilyloxyoctan-2-one
CID 169084631
(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal
CID 169258108
2,3-Bis[tri(propan-2-yl)silyloxy]octanal
CID 174144539
(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one
CID 10333580
2-Trimethylsilyloxycyclododecan-1-one
CID 11288709

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one?
The IUPAC name of (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one (CID 135036795) is (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one.
What is the SMILES notation for (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one?
The canonical SMILES for (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one is CCCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(C)=O.
What is the InChIKey of (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one?
The InChIKey is ISMOCEPOLDUSPQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-9-10-11-13(16-18(3,4)5)14(12(2)15)17-19(6,7)8/h13-14H,9-11H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one?
(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one has a molecular weight of 304.58 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one is sourced from PubChem (CID 135036795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).