(4R)-4-trimethylsilyloxyoctan-2-one

C11H24O2Si — CID 135036825

IUPAC(4R)-4-trimethylsilyloxyoctan-2-one
SMILESCCCC[C@H](CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-7-8-11(9-10(2)12)13-14(3,4)5/h11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyMPVDICVBACZALH-LLVKDONJSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds7

About (4R)-4-trimethylsilyloxyoctan-2-one

(4R)-4-trimethylsilyloxyoctan-2-one (PubChem CID 135036825) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (4R)-4-trimethylsilyloxyoctan-2-one.

Molecular Properties

Compound Name(4R)-4-trimethylsilyloxyoctan-2-one
PubChem CID135036825
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(4R)-4-trimethylsilyloxyoctan-2-one
SMILESCCCC[C@H](CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-7-8-11(9-10(2)12)13-14(3,4)5/h11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyMPVDICVBACZALH-LLVKDONJSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
4-Methoxyoctan-2-one
CID 20651967
4-[Tert-butyl(dimethyl)silyl]peroxyoctan-2-one
CID 10612403
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
2-[Dimethyl(propan-2-yloxy)silyl]nonan-3-one
CID 72740805
(3S)-3-trimethylsilyloxynonanal
CID 134878697
(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
CID 135036795
3-[Dimethyl(propan-2-yloxy)silyl]decan-4-one
CID 135049385
3-[Dimethyl(propan-2-yloxy)silyl]nonan-2-one
CID 135049549
4-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 135080486
(3R)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 10890592

Frequently Asked Questions

What is the IUPAC name of (4R)-4-trimethylsilyloxyoctan-2-one?
The IUPAC name of (4R)-4-trimethylsilyloxyoctan-2-one (CID 135036825) is (4R)-4-trimethylsilyloxyoctan-2-one.
What is the SMILES notation for (4R)-4-trimethylsilyloxyoctan-2-one?
The canonical SMILES for (4R)-4-trimethylsilyloxyoctan-2-one is CCCC[C@H](CC(C)=O)O[Si](C)(C)C.
What is the InChIKey of (4R)-4-trimethylsilyloxyoctan-2-one?
The InChIKey is MPVDICVBACZALH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-7-8-11(9-10(2)12)13-14(3,4)5/h11H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of (4R)-4-trimethylsilyloxyoctan-2-one?
(4R)-4-trimethylsilyloxyoctan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-trimethylsilyloxyoctan-2-one is sourced from PubChem (CID 135036825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).