[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane

C17H26Si — CID 12992256

IUPAC[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane
SMILESC=CCC/C(C)=C(\C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26Si/c1-6-7-11-15(2)16(3)14-18(4,5)17-12-9-8-10-13-17/h6,8-10,12-13H,1,7,11,14H2,2-5H3/b16-15+
InChIKeyWASGZXIMOGVQCW-FOCLMDBBSA-N
MW258.48 g/mol
LogP4.90
Rot. Bonds6

About [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane

[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane (PubChem CID 12992256) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane
PubChem CID12992256
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Name[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane
SMILESC=CCC/C(C)=C(\C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26Si/c1-6-7-11-15(2)16(3)14-18(4,5)17-12-9-8-10-13-17/h6,8-10,12-13H,1,7,11,14H2,2-5H3/b16-15+
InChIKeyWASGZXIMOGVQCW-FOCLMDBBSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane?
The IUPAC name of [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane (CID 12992256) is [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane?
The canonical SMILES for [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane is C=CCC/C(C)=C(\C)C[Si](C)(C)c1ccccc1.
What is the InChIKey of [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane?
The InChIKey is WASGZXIMOGVQCW-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H26Si/c1-6-7-11-15(2)16(3)14-18(4,5)17-12-9-8-10-13-17/h6,8-10,12-13H,1,7,11,14H2,2-5H3/b16-15+.
What are the key properties of [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane?
[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane has a molecular weight of 258.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane is sourced from PubChem (CID 12992256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).