[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane

C10H18OSi — CID 10903353

IUPAC[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/C=C/C)O[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-7-8-9-10(2)11-12(3,4)5/h6-9H,2H2,1,3-5H3/b7-6+,9-8+
InChIKeyHHXPXXSCUBRYCG-BLHCBFLLSA-N
MW182.34 g/mol
LogP3.48
Rot. Bonds4

About [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane

[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane (PubChem CID 10903353) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane
PubChem CID10903353
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/C=C/C)O[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-7-8-9-10(2)11-12(3,4)5/h6-9H,2H2,1,3-5H3/b7-6+,9-8+
InChIKeyHHXPXXSCUBRYCG-BLHCBFLLSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(3E,5E,7E)-nona-1,3,5,7-tetraen-2-yl]oxysilane
CID 12596786
trimethyl(3-trimethylsilyloxybuta-1,3-dienoxy)silane
CID 54494435
2-methylhepta-1,3,5-triene
CID 54571604
2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxymethyl]oxirane
CID 89355809
4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane
CID 12616820
(3Z,5Z)-2-methylsulfinylhepta-1,3,5-triene
CID 142884054
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile
CID 101092842
(3Z,5Z)-N'-methyl-2-methylidenehepta-3,5-dienimidamide
CID 145063877
buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane (CID 10903353) is [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane is C=C(/C=C/C=C/C)O[Si](C)(C)C.
What is the InChIKey of [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane?
The InChIKey is HHXPXXSCUBRYCG-BLHCBFLLSA-N. The full InChI is InChI=1S/C10H18OSi/c1-6-7-8-9-10(2)11-12(3,4)5/h6-9H,2H2,1,3-5H3/b7-6+,9-8+.
What are the key properties of [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane?
[(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane has a molecular weight of 182.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-hepta-1,3,5-trien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10903353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).