tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane

C28H42OSi — CID 44607928

IUPACtert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane
SMILESCC(C)C/C=C/CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42OSi/c1-25(2)19-13-9-7-6-8-10-18-24-29-30(28(3,4)5,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h9,11-17,20-23,25H,6-8,10,18-19,24H2,1-5H3/b13-9+
InChIKeyFRKSHKWWDDZOQN-UKTHLTGXSA-N
MW422.73 g/mol
LogP7.12
Rot. Bonds12

About tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane

tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane (PubChem CID 44607928) has the molecular formula C28H42OSi and a molecular weight of 422.73 g/mol. Its IUPAC name is tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane
PubChem CID44607928
Molecular FormulaC28H42OSi
Molecular Weight422.73 g/mol
Exact Mass422.30
IUPAC Nametert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane
SMILESCC(C)C/C=C/CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42OSi/c1-25(2)19-13-9-7-6-8-10-18-24-29-30(28(3,4)5,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h9,11-17,20-23,25H,6-8,10,18-19,24H2,1-5H3/b13-9+
InChIKeyFRKSHKWWDDZOQN-UKTHLTGXSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.73
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-10-methylundec-7-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane (CID 44607928) is tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane is CC(C)C/C=C/CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane?
The InChIKey is FRKSHKWWDDZOQN-UKTHLTGXSA-N. The full InChI is InChI=1S/C28H42OSi/c1-25(2)19-13-9-7-6-8-10-18-24-29-30(28(3,4)5,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h9,11-17,20-23,25H,6-8,10,18-19,24H2,1-5H3/b13-9+.
What are the key properties of tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane?
tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane has a molecular weight of 422.73 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-10-methylundec-7-enoxy]-diphenylsilane is sourced from PubChem (CID 44607928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).