tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane

C15H30OSi — CID 124629180

IUPACtert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
SMILESC/C=C(\C)CC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-14(2)12-10-9-11-13-16-17(6,7)15(3,4)5/h8-9,11H,10,12-13H2,1-7H3/b11-9-,14-8+
InChIKeyPCZNVUJKDMKJJL-WBCUMWNESA-N
MW254.49 g/mol
LogP5.31
Rot. Bonds6

About tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane

tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane (PubChem CID 124629180) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
PubChem CID124629180
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
SMILESC/C=C(\C)CC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-14(2)12-10-9-11-13-16-17(6,7)15(3,4)5/h8-9,11H,10,12-13H2,1-7H3/b11-9-,14-8+
InChIKeyPCZNVUJKDMKJJL-WBCUMWNESA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane (CID 124629180) is tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane is C/C=C(\C)CC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane?
The InChIKey is PCZNVUJKDMKJJL-WBCUMWNESA-N. The full InChI is InChI=1S/C15H30OSi/c1-8-14(2)12-10-9-11-13-16-17(6,7)15(3,4)5/h8-9,11H,10,12-13H2,1-7H3/b11-9-,14-8+.
What are the key properties of tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane?
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane has a molecular weight of 254.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane is sourced from PubChem (CID 124629180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).