tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane

C21H34O2Si — CID 134982966

IUPACtert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane
SMILESC=C(/C=C/CO[Si](C)(C)C(C)(C)C)CCCOCc1ccccc1
InChIInChI=1S/C21H34O2Si/c1-19(13-11-17-23-24(5,6)21(2,3)4)12-10-16-22-18-20-14-8-7-9-15-20/h7-9,11,13-15H,1,10,12,16-18H2,2-6H3/b13-11+
InChIKeyLMXCKCIHNYLKEB-ACCUITESSA-N
MW346.59 g/mol
LogP6.12
Rot. Bonds10

About tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane

tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane (PubChem CID 134982966) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane
PubChem CID134982966
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Nametert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane
SMILESC=C(/C=C/CO[Si](C)(C)C(C)(C)C)CCCOCc1ccccc1
InChIInChI=1S/C21H34O2Si/c1-19(13-11-17-23-24(5,6)21(2,3)4)12-10-16-22-18-20-14-8-7-9-15-20/h7-9,11,13-15H,1,10,12,16-18H2,2-6H3/b13-11+
InChIKeyLMXCKCIHNYLKEB-ACCUITESSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 56.12
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
8-methylnon-8-enoxymethylbenzene
CID 10776845
(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane (CID 134982966) is tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane is C=C(/C=C/CO[Si](C)(C)C(C)(C)C)CCCOCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane?
The InChIKey is LMXCKCIHNYLKEB-ACCUITESSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-19(13-11-17-23-24(5,6)21(2,3)4)12-10-16-22-18-20-14-8-7-9-15-20/h7-9,11,13-15H,1,10,12,16-18H2,2-6H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane has a molecular weight of 346.59 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane is sourced from PubChem (CID 134982966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).