(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane

C26H48O2Si2 — CID 139950121

IUPAC(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane
SMILESC=Cc1cc(O[Si](CCC)(CCC)CCC)cc(O[Si](CCC)(CCC)CCC)c1
InChIInChI=1S/C26H48O2Si2/c1-8-15-29(16-9-2,17-10-3)27-25-21-24(14-7)22-26(23-25)28-30(18-11-4,19-12-5)20-13-6/h14,21-23H,7-13,15-20H2,1-6H3
InChIKeyTWNJKCGESAJIBH-UHFFFAOYSA-N
MW448.84 g/mol
LogP9.44
Rot. Bonds17

About (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane

(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane (PubChem CID 139950121) has the molecular formula C26H48O2Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane.

Molecular Properties

Compound Name(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane
PubChem CID139950121
Molecular FormulaC26H48O2Si2
Molecular Weight448.84 g/mol
Exact Mass448.32
IUPAC Name(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane
SMILESC=Cc1cc(O[Si](CCC)(CCC)CCC)cc(O[Si](CCC)(CCC)CCC)c1
InChIInChI=1S/C26H48O2Si2/c1-8-15-29(16-9-2,17-10-3)27-25-21-24(14-7)22-26(23-25)28-30(18-11-4,19-12-5)20-13-6/h14,21-23H,7-13,15-20H2,1-6H3
InChIKeyTWNJKCGESAJIBH-UHFFFAOYSA-N
XLogP9.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane?
The IUPAC name of (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane (CID 139950121) is (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane.
What is the SMILES notation for (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane?
The canonical SMILES for (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane is C=Cc1cc(O[Si](CCC)(CCC)CCC)cc(O[Si](CCC)(CCC)CCC)c1.
What is the InChIKey of (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane?
The InChIKey is TWNJKCGESAJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O2Si2/c1-8-15-29(16-9-2,17-10-3)27-25-21-24(14-7)22-26(23-25)28-30(18-11-4,19-12-5)20-13-6/h14,21-23H,7-13,15-20H2,1-6H3.
What are the key properties of (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane?
(3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane has a molecular weight of 448.84 g/mol, XLogP of 9.44, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-5-tripropylsilyloxyphenoxy)-tripropylsilane is sourced from PubChem (CID 139950121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).