[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane

C35H41FO2Si2 — CID 22639108

IUPAC[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane
SMILESCC(c1ccccc1)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C35H41FO2Si2/c1-26(28-15-9-7-10-16-28)39(3,4)37-24-35(25-38-40(5,6)27(2)29-17-11-8-12-18-29)33-20-14-13-19-31(33)32-22-21-30(36)23-34(32)35/h7-23,26-27H,24-25H2,1-6H3
InChIKeyRSJPLRKHDGEWPI-UHFFFAOYSA-N
MW568.88 g/mol
LogP9.22
Rot. Bonds10

About [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane

[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane (PubChem CID 22639108) has the molecular formula C35H41FO2Si2 and a molecular weight of 568.88 g/mol. Its IUPAC name is [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane.

Molecular Properties

Compound Name[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane
PubChem CID22639108
Molecular FormulaC35H41FO2Si2
Molecular Weight568.88 g/mol
Exact Mass568.26
IUPAC Name[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane
SMILESCC(c1ccccc1)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C35H41FO2Si2/c1-26(28-15-9-7-10-16-28)39(3,4)37-24-35(25-38-40(5,6)27(2)29-17-11-8-12-18-29)33-20-14-13-19-31(33)32-22-21-30(36)23-34(32)35/h7-23,26-27H,24-25H2,1-6H3
InChIKeyRSJPLRKHDGEWPI-UHFFFAOYSA-N
XLogP9.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.88
LogP ≤ 59.22
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(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane?
The IUPAC name of [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane (CID 22639108) is [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane.
What is the SMILES notation for [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane?
The canonical SMILES for [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane is CC(c1ccccc1)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane?
The InChIKey is RSJPLRKHDGEWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FO2Si2/c1-26(28-15-9-7-10-16-28)39(3,4)37-24-35(25-38-40(5,6)27(2)29-17-11-8-12-18-29)33-20-14-13-19-31(33)32-22-21-30(36)23-34(32)35/h7-23,26-27H,24-25H2,1-6H3.
What are the key properties of [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane?
[9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane has a molecular weight of 568.88 g/mol, XLogP of 9.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[[dimethyl(1-phenylethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-(1-phenylethyl)silane is sourced from PubChem (CID 22639108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).