[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane

C28H56O2Si2 — CID 135066594

IUPAC[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
SMILESC/C=C(\C)C(CCC=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C28H56O2Si2/c1-11-25(9)27(29-31(13-3,14-4)15-5)23-21-19-20-22-24-28(26(10)12-2)30-32(16-6,17-7)18-8/h11-12,19-20,27-28H,13-18,21-24H2,1-10H3/b20-19?,25-11+,26-12+
InChIKeyIZQOCXRISLYNPW-HZXNRKIQSA-N
MW480.93 g/mol
LogP9.82
Rot. Bonds18

About [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane

[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane (PubChem CID 135066594) has the molecular formula C28H56O2Si2 and a molecular weight of 480.93 g/mol. Its IUPAC name is [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
PubChem CID135066594
Molecular FormulaC28H56O2Si2
Molecular Weight480.93 g/mol
Exact Mass480.38
IUPAC Name[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
SMILESC/C=C(\C)C(CCC=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C28H56O2Si2/c1-11-25(9)27(29-31(13-3,14-4)15-5)23-21-19-20-22-24-28(26(10)12-2)30-32(16-6,17-7)18-8/h11-12,19-20,27-28H,13-18,21-24H2,1-10H3/b20-19?,25-11+,26-12+
InChIKeyIZQOCXRISLYNPW-HZXNRKIQSA-N
XLogP9.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.93
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
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CID 19045075
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Tripropylsilyloxyoct-3-ene
CID 5353192

Frequently Asked Questions

What is the IUPAC name of [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane?
The IUPAC name of [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane (CID 135066594) is [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane?
The canonical SMILES for [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane is C/C=C(\C)C(CCC=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C)O[Si](CC)(CC)CC.
What is the InChIKey of [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane?
The InChIKey is IZQOCXRISLYNPW-HZXNRKIQSA-N. The full InChI is InChI=1S/C28H56O2Si2/c1-11-25(9)27(29-31(13-3,14-4)15-5)23-21-19-20-22-24-28(26(10)12-2)30-32(16-6,17-7)18-8/h11-12,19-20,27-28H,13-18,21-24H2,1-10H3/b20-19?,25-11+,26-12+.
What are the key properties of [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane?
[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane has a molecular weight of 480.93 g/mol, XLogP of 9.82, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane is sourced from PubChem (CID 135066594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).