[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane

C32H42OSi — CID 19902697

IUPAC[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)C(COCc1ccccc1)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H42OSi/c1-30(2,3)24-15-17-26-27-18-16-25(31(4,5)6)20-29(27)32(28(26)19-24,34(7,8)9)22-33-21-23-13-11-10-12-14-23/h10-20H,21-22H2,1-9H3
InChIKeyGNQWIWXOBPYJPO-UHFFFAOYSA-N
MW470.77 g/mol
LogP8.64
Rot. Bonds5

About [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane

[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane (PubChem CID 19902697) has the molecular formula C32H42OSi and a molecular weight of 470.77 g/mol. Its IUPAC name is [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane.

Molecular Properties

Compound Name[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane
PubChem CID19902697
Molecular FormulaC32H42OSi
Molecular Weight470.77 g/mol
Exact Mass470.30
IUPAC Name[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)C(COCc1ccccc1)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H42OSi/c1-30(2,3)24-15-17-26-27-18-16-25(31(4,5)6)20-29(27)32(28(26)19-24,34(7,8)9)22-33-21-23-13-11-10-12-14-23/h10-20H,21-22H2,1-9H3
InChIKeyGNQWIWXOBPYJPO-UHFFFAOYSA-N
XLogP8.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane?
The IUPAC name of [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane (CID 19902697) is [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane.
What is the SMILES notation for [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane?
The canonical SMILES for [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane is CC(C)(C)c1ccc2c(c1)C(COCc1ccccc1)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane?
The InChIKey is GNQWIWXOBPYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42OSi/c1-30(2,3)24-15-17-26-27-18-16-25(31(4,5)6)20-29(27)32(28(26)19-24,34(7,8)9)22-33-21-23-13-11-10-12-14-23/h10-20H,21-22H2,1-9H3.
What are the key properties of [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane?
[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane has a molecular weight of 470.77 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane is sourced from PubChem (CID 19902697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).