heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

C22H29F3O2Si — CID 91733094

IUPACheptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29F3O2Si/c1-3-4-5-6-13-18-26-28(20-14-9-7-10-15-20,21-16-11-8-12-17-21)27-19(2)22(23,24)25/h7-12,14-17,19H,3-6,13,18H2,1-2H3
InChIKeyMSJNSTPIYWOXDX-UHFFFAOYSA-N
MW410.55 g/mol
LogP5.20
Rot. Bonds11

About heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91733094) has the molecular formula C22H29F3O2Si and a molecular weight of 410.55 g/mol. Its IUPAC name is heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Nameheptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91733094
Molecular FormulaC22H29F3O2Si
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Nameheptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29F3O2Si/c1-3-4-5-6-13-18-26-28(20-14-9-7-10-15-20,21-16-11-8-12-17-21)27-19(2)22(23,24)25/h7-12,14-17,19H,3-6,13,18H2,1-2H3
InChIKeyMSJNSTPIYWOXDX-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91733094) is heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is MSJNSTPIYWOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3O2Si/c1-3-4-5-6-13-18-26-28(20-14-9-7-10-15-20,21-16-11-8-12-17-21)27-19(2)22(23,24)25/h7-12,14-17,19H,3-6,13,18H2,1-2H3.
What are the key properties of heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 410.55 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91733094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).