lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride

C36H73Cl2LiSi2 — CID 162283850

IUPAClithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride
SMILESCC.CC1=C(C)[C@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CC1CC(C)C(C)C1C.C[Si](C)(Cl)C1CCCCC1.[Cl-].[Li+]
InChIInChI=1S/C17H32Si.C9H18.C8H17ClSi.C2H6.ClH.Li/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-6-5-7(2)9(4)8(6)3;1-10(2,9)8-6-4-3-5-7-8;1-2;;/h12,14,16-17H,7-11H2,1-6H3;6-9H,5H2,1-4H3;8H,3-7H2,1-2H3;1-2H3;1H;/q;;;;;+1/p-1/t12-,14-,17-;;;;;/m1...../s1
InChIKeyWHGJKRUIAVYACD-QLJTZGDNSA-M
MW640.00 g/mol
LogP7.75
Rot. Bonds3

About lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride

lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride (PubChem CID 162283850) has the molecular formula C36H73Cl2LiSi2 and a molecular weight of 640.00 g/mol. Its IUPAC name is lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride.

Molecular Properties

Compound Namelithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride
PubChem CID162283850
Molecular FormulaC36H73Cl2LiSi2
Molecular Weight640.00 g/mol
Exact Mass638.48
IUPAC Namelithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride
SMILESCC.CC1=C(C)[C@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CC1CC(C)C(C)C1C.C[Si](C)(Cl)C1CCCCC1.[Cl-].[Li+]
InChIInChI=1S/C17H32Si.C9H18.C8H17ClSi.C2H6.ClH.Li/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-6-5-7(2)9(4)8(6)3;1-10(2,9)8-6-4-3-5-7-8;1-2;;/h12,14,16-17H,7-11H2,1-6H3;6-9H,5H2,1-4H3;8H,3-7H2,1-2H3;1-2H3;1H;/q;;;;;+1/p-1/t12-,14-,17-;;;;;/m1...../s1
InChIKeyWHGJKRUIAVYACD-QLJTZGDNSA-M
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.00
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride with MolForge

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Related Compounds

cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;propane
CID 158449192

Frequently Asked Questions

What is the IUPAC name of lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride?
The IUPAC name of lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride (CID 162283850) is lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride.
What is the SMILES notation for lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride?
The canonical SMILES for lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride is CC.CC1=C(C)[C@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CC1CC(C)C(C)C1C.C[Si](C)(Cl)C1CCCCC1.[Cl-].[Li+].
What is the InChIKey of lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride?
The InChIKey is WHGJKRUIAVYACD-QLJTZGDNSA-M. The full InChI is InChI=1S/C17H32Si.C9H18.C8H17ClSi.C2H6.ClH.Li/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-6-5-7(2)9(4)8(6)3;1-10(2,9)8-6-4-3-5-7-8;1-2;;/h12,14,16-17H,7-11H2,1-6H3;6-9H,5H2,1-4H3;8H,3-7H2,1-2H3;1-2H3;1H;/q;;;;;+1/p-1/t12-,14-,17-;;;;;/m1...../s1.
What are the key properties of lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride?
lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride has a molecular weight of 640.00 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;chloro-cyclohexyl-dimethylsilane;cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;1,2,3,4-tetramethylcyclopentane;chloride is sourced from PubChem (CID 162283850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).