[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane

C16H24Si — CID 102464112

IUPAC[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane
SMILESC=C(/C=C\C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24Si/c1-14(12-13-16(2,3)4)17(5,6)15-10-8-7-9-11-15/h7-13H,1H2,2-6H3/b13-12-
InChIKeyNOAUSICRPNEIHE-SEYXRHQNSA-N
MW244.45 g/mol
LogP4.30
Rot. Bonds3

About [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane

[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane (PubChem CID 102464112) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane
PubChem CID102464112
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Name[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane
SMILESC=C(/C=C\C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24Si/c1-14(12-13-16(2,3)4)17(5,6)15-10-8-7-9-11-15/h7-13H,1H2,2-6H3/b13-12-
InChIKeyNOAUSICRPNEIHE-SEYXRHQNSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane (CID 102464112) is [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane is C=C(/C=C\C(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane?
The InChIKey is NOAUSICRPNEIHE-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H24Si/c1-14(12-13-16(2,3)4)17(5,6)15-10-8-7-9-11-15/h7-13H,1H2,2-6H3/b13-12-.
What are the key properties of [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane?
[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 102464112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).