2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol

C32H51NOSi — CID 172523473

IUPAC2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol
SMILESCC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1O)C1CC(N2CCCC2)C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C32H51NOSi/c1-10-35(11-2,29-19-22(3)18-26(30(29)34)32(7,8)9)28-21-27(33-16-12-13-17-33)24-15-14-23(20-25(24)28)31(4,5)6/h14-15,18-20,24-25,27-28,34H,10-13,16-17,21H2,1-9H3
InChIKeySSASSLVNPNJXMI-UHFFFAOYSA-N
MW493.85 g/mol
LogP7.71
Rot. Bonds5

About 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol

2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol (PubChem CID 172523473) has the molecular formula C32H51NOSi and a molecular weight of 493.85 g/mol. Its IUPAC name is 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol
PubChem CID172523473
Molecular FormulaC32H51NOSi
Molecular Weight493.85 g/mol
Exact Mass493.37
IUPAC Name2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol
SMILESCC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1O)C1CC(N2CCCC2)C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C32H51NOSi/c1-10-35(11-2,29-19-22(3)18-26(30(29)34)32(7,8)9)28-21-27(33-16-12-13-17-33)24-15-14-23(20-25(24)28)31(4,5)6/h14-15,18-20,24-25,27-28,34H,10-13,16-17,21H2,1-9H3
InChIKeySSASSLVNPNJXMI-UHFFFAOYSA-N
XLogP7.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.85
LogP ≤ 57.71
H-Bond Donors ≤ 51
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 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol (CID 172523473) is 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol is CC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1O)C1CC(N2CCCC2)C2C=CC(C(C)(C)C)=CC21.
What is the InChIKey of 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol?
The InChIKey is SSASSLVNPNJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51NOSi/c1-10-35(11-2,29-19-22(3)18-26(30(29)34)32(7,8)9)28-21-27(33-16-12-13-17-33)24-15-14-23(20-25(24)28)31(4,5)6/h14-15,18-20,24-25,27-28,34H,10-13,16-17,21H2,1-9H3.
What are the key properties of 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol?
2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol has a molecular weight of 493.85 g/mol, XLogP of 7.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(6-tert-butyl-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-diethylsilyl]-4-methylphenol is sourced from PubChem (CID 172523473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).