tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane

C15H30OSi — CID 88924821

IUPACtert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C15H30OSi/c1-9-11-12-14(13(3)10-2)16-17(7,8)15(4,5)6/h9-10,14H,1,11-12H2,2-8H3/b13-10+
InChIKeyWQFQDHNJNBYWGU-JLHYYAGUSA-N
MW254.49 g/mol
LogP5.31
Rot. Bonds6

About tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane (PubChem CID 88924821) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
PubChem CID88924821
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C15H30OSi/c1-9-11-12-14(13(3)10-2)16-17(7,8)15(4,5)6/h9-10,14H,1,11-12H2,2-8H3/b13-10+
InChIKeyWQFQDHNJNBYWGU-JLHYYAGUSA-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-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane (CID 88924821) is tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane is C=CCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C.
What is the InChIKey of tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The InChIKey is WQFQDHNJNBYWGU-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-11-12-14(13(3)10-2)16-17(7,8)15(4,5)6/h9-10,14H,1,11-12H2,2-8H3/b13-10+.
What are the key properties of tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane 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-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane is sourced from PubChem (CID 88924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).