[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane

C16H32OSi — CID 11011014

IUPAC[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane
SMILESCCCCCC/C(=C\[Si](C)(C)C)C/C=C/OCC
InChIInChI=1S/C16H32OSi/c1-6-8-9-10-12-16(15-18(3,4)5)13-11-14-17-7-2/h11,14-15H,6-10,12-13H2,1-5H3/b14-11+,16-15+
InChIKeyPTVIXVYJWZBZAS-LPVXAABHSA-N
MW268.52 g/mol
LogP5.70
Rot. Bonds10

About [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane

[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane (PubChem CID 11011014) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane
PubChem CID11011014
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane
SMILESCCCCCC/C(=C\[Si](C)(C)C)C/C=C/OCC
InChIInChI=1S/C16H32OSi/c1-6-8-9-10-12-16(15-18(3,4)5)13-11-14-17-7-2/h11,14-15H,6-10,12-13H2,1-5H3/b14-11+,16-15+
InChIKeyPTVIXVYJWZBZAS-LPVXAABHSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-methoxyundec-1-enyl]-trimethylsilane
CID 14871209
tert-butyl-[(E)-dec-1-enoxy]-dimethylsilane
CID 11065530
trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane
CID 11110963
tert-butyl-dimethyl-[(Z,3R)-3-tributylstannylundec-1-enoxy]silane
CID 11801236
(9Z)-9-(methoxymethylidene)tetradec-1-ene
CID 12130292
2-Hexyloct-1-enoxy(trimethyl)silane
CID 12524699
tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane
CID 14942039
(9E)-9-(methoxymethylidene)tetradec-1-ene
CID 101198481
tert-butyl-[(Z)-dec-1-enoxy]-dimethylsilane
CID 101698294
trimethyl-[(Z)-tridec-1-enoxy]silane
CID 135049536
[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane
CID 135049584
3-[(Z)-octadec-1-enoxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 58460822

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane (CID 11011014) is [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane is CCCCCC/C(=C\[Si](C)(C)C)C/C=C/OCC.
What is the InChIKey of [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane?
The InChIKey is PTVIXVYJWZBZAS-LPVXAABHSA-N. The full InChI is InChI=1S/C16H32OSi/c1-6-8-9-10-12-16(15-18(3,4)5)13-11-14-17-7-2/h11,14-15H,6-10,12-13H2,1-5H3/b14-11+,16-15+.
What are the key properties of [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane?
[(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(E)-3-ethoxyprop-2-enyl]oct-1-enyl]-trimethylsilane is sourced from PubChem (CID 11011014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).