cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane

C28H40O2Si — CID 139803084

IUPACcyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane
SMILESCO[Si](OC)(c1c(C(C)(C)C)ccc2c1Cc1cc(C(C)(C)C)ccc1-2)C1CCCC1
InChIInChI=1S/C28H40O2Si/c1-27(2,3)20-13-14-22-19(17-20)18-24-23(22)15-16-25(28(4,5)6)26(24)31(29-7,30-8)21-11-9-10-12-21/h13-17,21H,9-12,18H2,1-8H3
InChIKeyPJMCGIHGCFTVOU-UHFFFAOYSA-N
MW436.71 g/mol
LogP6.74
Rot. Bonds4

About cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane

cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane (PubChem CID 139803084) has the molecular formula C28H40O2Si and a molecular weight of 436.71 g/mol. Its IUPAC name is cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane.

Molecular Properties

Compound Namecyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane
PubChem CID139803084
Molecular FormulaC28H40O2Si
Molecular Weight436.71 g/mol
Exact Mass436.28
IUPAC Namecyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane
SMILESCO[Si](OC)(c1c(C(C)(C)C)ccc2c1Cc1cc(C(C)(C)C)ccc1-2)C1CCCC1
InChIInChI=1S/C28H40O2Si/c1-27(2,3)20-13-14-22-19(17-20)18-24-23(22)15-16-25(28(4,5)6)26(24)31(29-7,30-8)21-11-9-10-12-21/h13-17,21H,9-12,18H2,1-8H3
InChIKeyPJMCGIHGCFTVOU-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 23078665
CID 23078665
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
1-[tert-butyl(dimethoxy)silyl]-2-N,2-N,7-N,7-N-tetramethyl-9H-fluorene-2,7-diamine
CID 139803095
2,7-ditert-butyl-1-[cyclopenta-1,3-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
CID 86606714
2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
CID 172756079
2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
CID 144503486
cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane
CID 151176152
[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane
CID 155666034
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane?
The IUPAC name of cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane (CID 139803084) is cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane.
What is the SMILES notation for cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane?
The canonical SMILES for cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane is CO[Si](OC)(c1c(C(C)(C)C)ccc2c1Cc1cc(C(C)(C)C)ccc1-2)C1CCCC1.
What is the InChIKey of cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane?
The InChIKey is PJMCGIHGCFTVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O2Si/c1-27(2,3)20-13-14-22-19(17-20)18-24-23(22)15-16-25(28(4,5)6)26(24)31(29-7,30-8)21-11-9-10-12-21/h13-17,21H,9-12,18H2,1-8H3.
What are the key properties of cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane?
cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane has a molecular weight of 436.71 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane is sourced from PubChem (CID 139803084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).