dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane

C75H110Li2Si3+2 — CID 162289965

IUPACdilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane
SMILESCCCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCCC(C)C1=CC([Si](C)(C)C2C=Cc3c2ccc2ccccc32)c2ccccc21.CCCC(C)C1CC([Si](C)(C)C2CCC3C4CCCCC4CCC32)C2CCCCC12.[Li+].[Li+]
InChIInChI=1S/C29H52Si.C29H32Si.C17H26Si.2Li/c2*1-5-10-20(2)27-19-29(25-14-9-8-13-23(25)27)30(3,4)28-18-17-24-22-12-7-6-11-21(22)15-16-26(24)28;1-6-9-13(2)16-12-17(18(3,4)5)15-11-8-7-10-14(15)16;;/h20-29H,5-19H2,1-4H3;6-9,11-20,28-29H,5,10H2,1-4H3;7-8,10-13,17H,6,9H2,1-5H3;;/q;;;2*+1
InChIKeyKYBKJAMLQWZIBK-UHFFFAOYSA-N
MW1109.84 g/mol
LogP17.17
Rot. Bonds14

About dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane

dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane (PubChem CID 162289965) has the molecular formula C75H110Li2Si3+2 and a molecular weight of 1109.84 g/mol. Its IUPAC name is dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane.

Molecular Properties

Compound Namedilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane
PubChem CID162289965
Molecular FormulaC75H110Li2Si3+2
Molecular Weight1109.84 g/mol
Exact Mass1108.82
IUPAC Namedilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane
SMILESCCCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCCC(C)C1=CC([Si](C)(C)C2C=Cc3c2ccc2ccccc32)c2ccccc21.CCCC(C)C1CC([Si](C)(C)C2CCC3C4CCCCC4CCC32)C2CCCCC12.[Li+].[Li+]
InChIInChI=1S/C29H52Si.C29H32Si.C17H26Si.2Li/c2*1-5-10-20(2)27-19-29(25-14-9-8-13-23(25)27)30(3,4)28-18-17-24-22-12-7-6-11-21(22)15-16-26(24)28;1-6-9-13(2)16-12-17(18(3,4)5)15-11-8-7-10-14(15)16;;/h20-29H,5-19H2,1-4H3;6-9,11-20,28-29H,5,10H2,1-4H3;7-8,10-13,17H,6,9H2,1-5H3;;/q;;;2*+1
InChIKeyKYBKJAMLQWZIBK-UHFFFAOYSA-N
XLogP17.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.84
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane?
The IUPAC name of dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane (CID 162289965) is dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane.
What is the SMILES notation for dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane?
The canonical SMILES for dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane is CCCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCCC(C)C1=CC([Si](C)(C)C2C=Cc3c2ccc2ccccc32)c2ccccc21.CCCC(C)C1CC([Si](C)(C)C2CCC3C4CCCCC4CCC32)C2CCCCC12.[Li+].[Li+].
What is the InChIKey of dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane?
The InChIKey is KYBKJAMLQWZIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52Si.C29H32Si.C17H26Si.2Li/c2*1-5-10-20(2)27-19-29(25-14-9-8-13-23(25)27)30(3,4)28-18-17-24-22-12-7-6-11-21(22)15-16-26(24)28;1-6-9-13(2)16-12-17(18(3,4)5)15-11-8-7-10-14(15)16;;/h20-29H,5-19H2,1-4H3;6-9,11-20,28-29H,5,10H2,1-4H3;7-8,10-13,17H,6,9H2,1-5H3;;/q;;;2*+1.
What are the key properties of dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane?
dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane has a molecular weight of 1109.84 g/mol, XLogP of 17.17, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane is sourced from PubChem (CID 162289965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).