lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate

C35H37LiO2Si — CID 175340324

IUPAClithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate
SMILESCCCC(C)C1=CC([Si](C)(C)C2(C(=O)[O-])C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc21.[Li+]
InChIInChI=1S/C35H38O2Si.Li/c1-5-12-23(2)30-22-32(28-17-10-9-16-27(28)30)38(3,4)35(34(36)37)20-19-29-31(35)21-25-15-11-18-26(25)33(29)24-13-7-6-8-14-24;/h6-10,13-14,16-17,19-23,32H,5,11-12,15,18H2,1-4H3,(H,36,37);/q;+1/p-1
InChIKeySWIQLTGIYXIETK-UHFFFAOYSA-M
MW524.71 g/mol
LogP4.26
Rot. Bonds7

About lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate

lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate (PubChem CID 175340324) has the molecular formula C35H37LiO2Si and a molecular weight of 524.71 g/mol. Its IUPAC name is lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate.

Molecular Properties

Compound Namelithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate
PubChem CID175340324
Molecular FormulaC35H37LiO2Si
Molecular Weight524.71 g/mol
Exact Mass524.27
IUPAC Namelithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate
SMILESCCCC(C)C1=CC([Si](C)(C)C2(C(=O)[O-])C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc21.[Li+]
InChIInChI=1S/C35H38O2Si.Li/c1-5-12-23(2)30-22-32(28-17-10-9-16-27(28)30)38(3,4)35(34(36)37)20-19-29-31(35)21-25-15-11-18-26(25)33(29)24-13-7-6-8-14-24;/h6-10,13-14,16-17,19-23,32H,5,11-12,15,18H2,1-4H3,(H,36,37);/q;+1/p-1
InChIKeySWIQLTGIYXIETK-UHFFFAOYSA-M
XLogP4.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate?
The IUPAC name of lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate (CID 175340324) is lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate.
What is the SMILES notation for lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate?
The canonical SMILES for lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate is CCCC(C)C1=CC([Si](C)(C)C2(C(=O)[O-])C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc21.[Li+].
What is the InChIKey of lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate?
The InChIKey is SWIQLTGIYXIETK-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H38O2Si.Li/c1-5-12-23(2)30-22-32(28-17-10-9-16-27(28)30)38(3,4)35(34(36)37)20-19-29-31(35)21-25-15-11-18-26(25)33(29)24-13-7-6-8-14-24;/h6-10,13-14,16-17,19-23,32H,5,11-12,15,18H2,1-4H3,(H,36,37);/q;+1/p-1.
What are the key properties of lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate?
lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate has a molecular weight of 524.71 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate is sourced from PubChem (CID 175340324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).