(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one

C17H30O2Si — CID 10424559

IUPAC(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one
SMILESC#CC(=O)/C(C)=C(\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-10-16(18)14(4)15(13(2)3)11-12-19-20(8,9)17(5,6)7/h1,13H,11-12H2,2-9H3/b15-14+
InChIKeyYXVCUNGSRIJOND-CCEZHUSRSA-N
MW294.51 g/mol
LogP4.57
Rot. Bonds6

About (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one

(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one (PubChem CID 10424559) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one.

Molecular Properties

Compound Name(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one
PubChem CID10424559
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one
SMILESC#CC(=O)/C(C)=C(\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-10-16(18)14(4)15(13(2)3)11-12-19-20(8,9)17(5,6)7/h1,13H,11-12H2,2-9H3/b15-14+
InChIKeyYXVCUNGSRIJOND-CCEZHUSRSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.57
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'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 139681349
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681

Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one?
The IUPAC name of (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one (CID 10424559) is (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one.
What is the SMILES notation for (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one?
The canonical SMILES for (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one is C#CC(=O)/C(C)=C(\CCO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one?
The InChIKey is YXVCUNGSRIJOND-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-10-16(18)14(4)15(13(2)3)11-12-19-20(8,9)17(5,6)7/h1,13H,11-12H2,2-9H3/b15-14+.
What are the key properties of (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one?
(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one has a molecular weight of 294.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one is sourced from PubChem (CID 10424559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).