(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one

C13H26O2Si — CID 135080098

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
SMILESCCC(=O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-12(14)11(2)9-10-15-16(6,7)13(3,4)5/h9H,8,10H2,1-7H3/b11-9+
InChIKeyFPSXQFXUMWLIIV-PKNBQFBNSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds5

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one

(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one (PubChem CID 135080098) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
PubChem CID135080098
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
SMILESCCC(=O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-12(14)11(2)9-10-15-16(6,7)13(3,4)5/h9H,8,10H2,1-7H3/b11-9+
InChIKeyFPSXQFXUMWLIIV-PKNBQFBNSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane
CID 10811490
(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-7-nitro-6-phenylhept-2-en-4-one
CID 10714625
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827
ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
CID 11111423
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
[2-[[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enoyl]-methylamino]phenyl] trifluoromethanesulfonate
CID 10885148
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
CID 90948310

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one (CID 135080098) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one is CCC(=O)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one?
The InChIKey is FPSXQFXUMWLIIV-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-12(14)11(2)9-10-15-16(6,7)13(3,4)5/h9H,8,10H2,1-7H3/b11-9+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one is sourced from PubChem (CID 135080098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).