[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane

C11H22OSi — CID 12717545

IUPAC[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane
SMILESC=C/C=C(\O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-10(11(2,3)4)12-13(5,6)7/h8-9H,1H2,2-7H3/b10-9-
InChIKeyKPGRKESBAFRFDM-KTKRTIGZSA-N
MW198.38 g/mol
LogP3.95
Rot. Bonds3

About [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane

[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane (PubChem CID 12717545) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane
PubChem CID12717545
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane
SMILESC=C/C=C(\O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-10(11(2,3)4)12-13(5,6)7/h8-9H,1H2,2-7H3/b10-9-
InChIKeyKPGRKESBAFRFDM-KTKRTIGZSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane?
The IUPAC name of [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane (CID 12717545) is [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane is C=C/C=C(\O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane?
The InChIKey is KPGRKESBAFRFDM-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-9-10(11(2,3)4)12-13(5,6)7/h8-9H,1H2,2-7H3/b10-9-.
What are the key properties of [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane?
[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 12717545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).