(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one

C13H28O2Si2 — CID 134967368

IUPAC(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one
SMILESCC(=O)CC[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si2/c1-12(14)8-9-13(15-17(5,6)7)10-11-16(2,3)4/h10-11,13H,8-9H2,1-7H3/b11-10+/t13-/m0/s1
InChIKeyMNHSBISCCUXRNZ-NHAQELONSA-N
MW272.54 g/mol
LogP4.01
Rot. Bonds7

About (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one

(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one (PubChem CID 134967368) has the molecular formula C13H28O2Si2 and a molecular weight of 272.54 g/mol. Its IUPAC name is (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one.

Molecular Properties

Compound Name(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one
PubChem CID134967368
Molecular FormulaC13H28O2Si2
Molecular Weight272.54 g/mol
Exact Mass272.16
IUPAC Name(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one
SMILESCC(=O)CC[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si2/c1-12(14)8-9-13(15-17(5,6)7)10-11-16(2,3)4/h10-11,13H,8-9H2,1-7H3/b11-10+/t13-/m0/s1
InChIKeyMNHSBISCCUXRNZ-NHAQELONSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.54
LogP ≤ 54.01
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

methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
trimethyl-[(E,6S,9R)-9-trimethylsilyloxyoctadec-7-en-6-yl]oxysilane
CID 10025621
trimethyl-[(E)-non-5-en-4-yl]oxysilane
CID 10420809
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
(5S)-5-hydroxyhexan-2-one
CID 11491928
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
CID 15049400
tert-butyl-[(1Z,3S)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 134898148
butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate
CID 15907386
(5E)-5-trimethylsilyloxyiminohexan-2-one
CID 88532196
5-hydroxyoctan-2-one
CID 54022064

Frequently Asked Questions

What is the IUPAC name of (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one?
The IUPAC name of (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one (CID 134967368) is (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one.
What is the SMILES notation for (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one?
The canonical SMILES for (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one is CC(=O)CC[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one?
The InChIKey is MNHSBISCCUXRNZ-NHAQELONSA-N. The full InChI is InChI=1S/C13H28O2Si2/c1-12(14)8-9-13(15-17(5,6)7)10-11-16(2,3)4/h10-11,13H,8-9H2,1-7H3/b11-10+/t13-/m0/s1.
What are the key properties of (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one?
(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one has a molecular weight of 272.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one is sourced from PubChem (CID 134967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).