(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one

C11H24O2Si — CID 11557578

IUPAC(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H](CC)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-10(12)9(3)11(8-2)13-14(4,5)6/h9,11H,7-8H2,1-6H3/t9-,11-/m1/s1
InChIKeyYSGMVCPFOPDTLA-MWLCHTKSSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds6

About (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one

(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one (PubChem CID 11557578) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
PubChem CID11557578
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@@H](CC)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-10(12)9(3)11(8-2)13-14(4,5)6/h9,11H,7-8H2,1-6H3/t9-,11-/m1/s1
InChIKeyYSGMVCPFOPDTLA-MWLCHTKSSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 11715729
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
1-(2-Trimethylsilyloxycyclopentyl)ethanone
CID 73197453
CID 134890037
CID 134890037
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
CID 135048113

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one?
The IUPAC name of (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one (CID 11557578) is (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one?
The canonical SMILES for (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one is CCC(=O)[C@@H](C)[C@@H](CC)O[Si](C)(C)C.
What is the InChIKey of (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one?
The InChIKey is YSGMVCPFOPDTLA-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-7-10(12)9(3)11(8-2)13-14(4,5)6/h9,11H,7-8H2,1-6H3/t9-,11-/m1/s1.
What are the key properties of (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one?
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one is sourced from PubChem (CID 11557578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).