(3,5-difluorophenoxy)-dimethyl-octylsilane

C16H26F2OSi — CID 530877

IUPAC(3,5-difluorophenoxy)-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H26F2OSi/c1-4-5-6-7-8-9-10-20(2,3)19-16-12-14(17)11-15(18)13-16/h11-13H,4-10H2,1-3H3
InChIKeySAQIUOGQQRCOBK-UHFFFAOYSA-N
MW300.46 g/mol
LogP5.91
Rot. Bonds9

About (3,5-difluorophenoxy)-dimethyl-octylsilane

(3,5-difluorophenoxy)-dimethyl-octylsilane (PubChem CID 530877) has the molecular formula C16H26F2OSi and a molecular weight of 300.46 g/mol. Its IUPAC name is (3,5-difluorophenoxy)-dimethyl-octylsilane.

Molecular Properties

Compound Name(3,5-difluorophenoxy)-dimethyl-octylsilane
PubChem CID530877
Molecular FormulaC16H26F2OSi
Molecular Weight300.46 g/mol
Exact Mass300.17
IUPAC Name(3,5-difluorophenoxy)-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H26F2OSi/c1-4-5-6-7-8-9-10-20(2,3)19-16-12-14(17)11-15(18)13-16/h11-13H,4-10H2,1-3H3
InChIKeySAQIUOGQQRCOBK-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 55.91
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'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenoxy)-dimethyl-octylsilane?
The IUPAC name of (3,5-difluorophenoxy)-dimethyl-octylsilane (CID 530877) is (3,5-difluorophenoxy)-dimethyl-octylsilane.
What is the SMILES notation for (3,5-difluorophenoxy)-dimethyl-octylsilane?
The canonical SMILES for (3,5-difluorophenoxy)-dimethyl-octylsilane is CCCCCCCC[Si](C)(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenoxy)-dimethyl-octylsilane?
The InChIKey is SAQIUOGQQRCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2OSi/c1-4-5-6-7-8-9-10-20(2,3)19-16-12-14(17)11-15(18)13-16/h11-13H,4-10H2,1-3H3.
What are the key properties of (3,5-difluorophenoxy)-dimethyl-octylsilane?
(3,5-difluorophenoxy)-dimethyl-octylsilane has a molecular weight of 300.46 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenoxy)-dimethyl-octylsilane is sourced from PubChem (CID 530877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).