benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane

C27H32O2Si — CID 69304675

IUPACbenzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane
SMILESCCCOCC1(CO[Si](C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32O2Si/c1-4-18-28-20-27(21-29-30(2,3)19-22-12-6-5-7-13-22)25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h5-17H,4,18-21H2,1-3H3
InChIKeyNTQBWINAOIBOOS-UHFFFAOYSA-N
MW416.64 g/mol
LogP6.38
Rot. Bonds9

About benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane

benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane (PubChem CID 69304675) has the molecular formula C27H32O2Si and a molecular weight of 416.64 g/mol. Its IUPAC name is benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane
PubChem CID69304675
Molecular FormulaC27H32O2Si
Molecular Weight416.64 g/mol
Exact Mass416.22
IUPAC Namebenzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane
SMILESCCCOCC1(CO[Si](C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32O2Si/c1-4-18-28-20-27(21-29-30(2,3)19-22-12-6-5-7-13-22)25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h5-17H,4,18-21H2,1-3H3
InChIKeyNTQBWINAOIBOOS-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 56.38
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 benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane?
The IUPAC name of benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane (CID 69304675) is benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane.
What is the SMILES notation for benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane?
The canonical SMILES for benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane is CCCOCC1(CO[Si](C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane?
The InChIKey is NTQBWINAOIBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2Si/c1-4-18-28-20-27(21-29-30(2,3)19-22-12-6-5-7-13-22)25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h5-17H,4,18-21H2,1-3H3.
What are the key properties of benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane?
benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane has a molecular weight of 416.64 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane is sourced from PubChem (CID 69304675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).