[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

C37H44O2Si2 — CID 18622621

IUPAC[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H44O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7-22,35-36H,23-26H2,1-6H3
InChIKeyMBHLSVOACHDUBO-UHFFFAOYSA-N
MW576.93 g/mol
LogP10.08
Rot. Bonds10

About [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (PubChem CID 18622621) has the molecular formula C37H44O2Si2 and a molecular weight of 576.93 g/mol. Its IUPAC name is [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.

Molecular Properties

Compound Name[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
PubChem CID18622621
Molecular FormulaC37H44O2Si2
Molecular Weight576.93 g/mol
Exact Mass576.29
IUPAC Name[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H44O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7-22,35-36H,23-26H2,1-6H3
InChIKeyMBHLSVOACHDUBO-UHFFFAOYSA-N
XLogP10.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 510.08
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 [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The IUPAC name of [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (CID 18622621) is [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.
What is the SMILES notation for [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The canonical SMILES for [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is C[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The InChIKey is MBHLSVOACHDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7-22,35-36H,23-26H2,1-6H3.
What are the key properties of [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
[3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane has a molecular weight of 576.93 g/mol, XLogP of 10.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(9H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is sourced from PubChem (CID 18622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).