[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane

C16H26Si — CID 10514612

IUPAC[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
SMILESCC(C)CC(C)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26Si/c1-14(2)13-15(3)11-12-17(4,5)16-9-7-6-8-10-16/h6-12,14-15H,13H2,1-5H3/b12-11+
InChIKeyJBRQKBVEHYSMDR-VAWYXSNFSA-N
MW246.47 g/mol
LogP4.38
Rot. Bonds5

About [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane

[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane (PubChem CID 10514612) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
PubChem CID10514612
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Name[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
SMILESCC(C)CC(C)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26Si/c1-14(2)13-15(3)11-12-17(4,5)16-9-7-6-8-10-16/h6-12,14-15H,13H2,1-5H3/b12-11+
InChIKeyJBRQKBVEHYSMDR-VAWYXSNFSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane?
The IUPAC name of [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane (CID 10514612) is [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane?
The canonical SMILES for [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane is CC(C)CC(C)/C=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane?
The InChIKey is JBRQKBVEHYSMDR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H26Si/c1-14(2)13-15(3)11-12-17(4,5)16-9-7-6-8-10-16/h6-12,14-15H,13H2,1-5H3/b12-11+.
What are the key properties of [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane?
[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane is sourced from PubChem (CID 10514612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).