(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one

C17H34O2Si — CID 162400507

IUPAC(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one
SMILESCC(=O)/C=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h10,12,14-16H,8-9,11,13H2,1-7H3/b12-10+
InChIKeyLPOGBIZOECVKOK-ZRDIBKRKSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds10

About (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one

(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one (PubChem CID 162400507) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one.

Molecular Properties

Compound Name(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one
PubChem CID162400507
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one
SMILESCC(=O)/C=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h10,12,14-16H,8-9,11,13H2,1-7H3/b12-10+
InChIKeyLPOGBIZOECVKOK-ZRDIBKRKSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 12021523
(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
CID 134838203
(E,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnon-3-en-2-one
CID 134861574
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 134982277
8-Tri(propan-2-yl)silyloxyoct-4-en-2-one
CID 162401338
(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
CID 162401339
4-(2-((Tert-butyldimethylsilyl)oxy)ethyl)-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
CID 162786790
(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
CID 53344197
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
CID 13067722
7-[Diethoxy(methyl)silyl]hept-2-en-4-one
CID 57106624

Frequently Asked Questions

What is the IUPAC name of (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one?
The IUPAC name of (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one (CID 162400507) is (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one.
What is the SMILES notation for (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one?
The canonical SMILES for (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one is CC(=O)/C=C/CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one?
The InChIKey is LPOGBIZOECVKOK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(2)20(15(3)4,16(5)6)19-13-11-9-8-10-12-17(7)18/h10,12,14-16H,8-9,11,13H2,1-7H3/b12-10+.
What are the key properties of (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one?
(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one is sourced from PubChem (CID 162400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).