(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione

C15H28O5Si — CID 101151250

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
SMILESCOCOC(C)C(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-12(19-11-18-5)14(17)9-8-13(16)10-20-21(6,7)15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyBWCSJQNIOWXLOJ-CMDGGOBGSA-N
MW316.47 g/mol
LogP2.71
Rot. Bonds9

About (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione

(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione (PubChem CID 101151250) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
PubChem CID101151250
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
SMILESCOCOC(C)C(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-12(19-11-18-5)14(17)9-8-13(16)10-20-21(6,7)15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyBWCSJQNIOWXLOJ-CMDGGOBGSA-N
XLogP2.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-7-methyloct-3-ene-2,5-dione
CID 101151252
propan-2-yl 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 14922737
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
CID 10948163
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
ethyl (E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123856196

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione (CID 101151250) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione is COCOC(C)C(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione?
The InChIKey is BWCSJQNIOWXLOJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-12(19-11-18-5)14(17)9-8-13(16)10-20-21(6,7)15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione has a molecular weight of 316.47 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione is sourced from PubChem (CID 101151250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).