dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane

C25H40Li2OSi — CID 135046747

IUPACdilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
SMILESCOCCCCC[Si](C)(c1c(C)c(C)[c-](C)c1C)c1c(C)c(C)[c-](C)c1C.[Li+].[Li+]
InChIInChI=1S/C25H40OSi.2Li/c1-16-17(2)21(6)24(20(16)5)27(10,15-13-11-12-14-26-9)25-22(7)18(3)19(4)23(25)8;;/h11-15H2,1-10H3;;/q-2;2*+1
InChIKeyJOOMMXMDLUBDNR-UHFFFAOYSA-N
MW398.56 g/mol
LogP-0.39
Rot. Bonds8

About dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane

dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane (PubChem CID 135046747) has the molecular formula C25H40Li2OSi and a molecular weight of 398.56 g/mol. Its IUPAC name is dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane.

Molecular Properties

Compound Namedilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
PubChem CID135046747
Molecular FormulaC25H40Li2OSi
Molecular Weight398.56 g/mol
Exact Mass398.32
IUPAC Namedilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
SMILESCOCCCCC[Si](C)(c1c(C)c(C)[c-](C)c1C)c1c(C)c(C)[c-](C)c1C.[Li+].[Li+]
InChIInChI=1S/C25H40OSi.2Li/c1-16-17(2)21(6)24(20(16)5)27(10,15-13-11-12-14-26-9)25-22(7)18(3)19(4)23(25)8;;/h11-15H2,1-10H3;;/q-2;2*+1
InChIKeyJOOMMXMDLUBDNR-UHFFFAOYSA-N
XLogP-0.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
CID 135046584
Dilithium;3-methoxypropyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
CID 135046703
Dilithium;methyl-propan-2-yloxy-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 11760081
Dilithium;methyl-propan-2-yloxy-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
CID 15977321
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 176439903

Frequently Asked Questions

What is the IUPAC name of dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane?
The IUPAC name of dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane (CID 135046747) is dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane.
What is the SMILES notation for dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane?
The canonical SMILES for dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane is COCCCCC[Si](C)(c1c(C)c(C)[c-](C)c1C)c1c(C)c(C)[c-](C)c1C.[Li+].[Li+].
What is the InChIKey of dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane?
The InChIKey is JOOMMXMDLUBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi.2Li/c1-16-17(2)21(6)24(20(16)5)27(10,15-13-11-12-14-26-9)25-22(7)18(3)19(4)23(25)8;;/h11-15H2,1-10H3;;/q-2;2*+1.
What are the key properties of dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane?
dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane has a molecular weight of 398.56 g/mol, XLogP of -0.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-methoxypentyl-methyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane is sourced from PubChem (CID 135046747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).