(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one

C13H30O2Si2 — CID 10333580

IUPAC(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one
SMILESCCCCC[C@H](O[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H30O2Si2/c1-8-9-10-11-12(15-17(5,6)7)13(14)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyCFAKMFQWTDVZIS-LBPRGKRZSA-N
MW274.55 g/mol
LogP4.23
Rot. Bonds8

About (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one

(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one (PubChem CID 10333580) has the molecular formula C13H30O2Si2 and a molecular weight of 274.55 g/mol. Its IUPAC name is (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one.

Molecular Properties

Compound Name(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one
PubChem CID10333580
Molecular FormulaC13H30O2Si2
Molecular Weight274.55 g/mol
Exact Mass274.18
IUPAC Name(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one
SMILESCCCCC[C@H](O[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H30O2Si2/c1-8-9-10-11-12(15-17(5,6)7)13(14)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyCFAKMFQWTDVZIS-LBPRGKRZSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[Tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(3S,4R)-3,4-bis(trimethylsilyloxy)octan-2-one
CID 135036795
2-Trimethylsilyloxyheptanoic acid, trimethylsilyl ester
CID 599253
(2S)-2-{[Tri(propan-2-yl)silyl]oxy}heptanal
CID 15259574
(2S)-2-tri(propan-2-yl)silyloxydecanal
CID 101994421
1-Triethylsilyloxy-hexan-2-one
CID 12786212
1-Trimethylsilyloxyheptan-2-one
CID 18622724
1-Triethylsilyloxyheptan-2-one
CID 18622846
2-[Tert-butyl(dimethyl)silyl]oxynonanal
CID 72974532

Frequently Asked Questions

What is the IUPAC name of (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one?
The IUPAC name of (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one (CID 10333580) is (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one.
What is the SMILES notation for (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one?
The canonical SMILES for (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one is CCCCC[C@H](O[Si](C)(C)C)C(=O)[Si](C)(C)C.
What is the InChIKey of (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one?
The InChIKey is CFAKMFQWTDVZIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H30O2Si2/c1-8-9-10-11-12(15-17(5,6)7)13(14)16(2,3)4/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one?
(2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one has a molecular weight of 274.55 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-trimethylsilyl-2-trimethylsilyloxyheptan-1-one is sourced from PubChem (CID 10333580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).