[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane

C35H41FO2Si2 — CID 69304700

IUPAC[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane
SMILESC[Si](C)(CCc1ccccc1)OCC1(CO[Si](C)(C)CCc2ccccc2)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C35H41FO2Si2/c1-39(2,23-21-28-13-7-5-8-14-28)37-26-35(27-38-40(3,4)24-22-29-15-9-6-10-16-29)33-18-12-11-17-31(33)32-20-19-30(36)25-34(32)35/h5-20,25H,21-24,26-27H2,1-4H3
InChIKeyYMYQXLQKZLDCCW-UHFFFAOYSA-N
MW568.88 g/mol
LogP9.02
Rot. Bonds12

About [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane

[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane (PubChem CID 69304700) has the molecular formula C35H41FO2Si2 and a molecular weight of 568.88 g/mol. Its IUPAC name is [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane.

Molecular Properties

Compound Name[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane
PubChem CID69304700
Molecular FormulaC35H41FO2Si2
Molecular Weight568.88 g/mol
Exact Mass568.26
IUPAC Name[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane
SMILESC[Si](C)(CCc1ccccc1)OCC1(CO[Si](C)(C)CCc2ccccc2)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C35H41FO2Si2/c1-39(2,23-21-28-13-7-5-8-14-28)37-26-35(27-38-40(3,4)24-22-29-15-9-6-10-16-29)33-18-12-11-17-31(33)32-20-19-30(36)25-34(32)35/h5-20,25H,21-24,26-27H2,1-4H3
InChIKeyYMYQXLQKZLDCCW-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.88
LogP ≤ 59.02
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 [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane?
The IUPAC name of [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane (CID 69304700) is [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane.
What is the SMILES notation for [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane?
The canonical SMILES for [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane is C[Si](C)(CCc1ccccc1)OCC1(CO[Si](C)(C)CCc2ccccc2)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane?
The InChIKey is YMYQXLQKZLDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FO2Si2/c1-39(2,23-21-28-13-7-5-8-14-28)37-26-35(27-38-40(3,4)24-22-29-15-9-6-10-16-29)33-18-12-11-17-31(33)32-20-19-30(36)25-34(32)35/h5-20,25H,21-24,26-27H2,1-4H3.
What are the key properties of [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane?
[9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane has a molecular weight of 568.88 g/mol, XLogP of 9.02, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[[dimethyl(2-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(2-phenylethyl)silane is sourced from PubChem (CID 69304700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).