lithium;butane;bis(hydroxy(trimethyl)silane)

C10H29LiO2Si2 — CID 161138898

IUPAClithium;butane;bis(hydroxy(trimethyl)silane)
SMILESC[Si](C)(C)O.C[Si](C)(C)O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.2C3H10OSi.Li/c1-3-4-2;2*1-5(2,3)4;/h1,3-4H2,2H3;2*4H,1-3H3;/q-1;;;+1
InChIKeyPKLXIMHJHBNFSH-UHFFFAOYSA-N
MW244.45 g/mol
LogP0.25
Rot. Bonds1

About lithium;butane;bis(hydroxy(trimethyl)silane)

lithium;butane;bis(hydroxy(trimethyl)silane) (PubChem CID 161138898) has the molecular formula C10H29LiO2Si2 and a molecular weight of 244.45 g/mol. Its IUPAC name is lithium;butane;bis(hydroxy(trimethyl)silane).

Molecular Properties

Compound Namelithium;butane;bis(hydroxy(trimethyl)silane)
PubChem CID161138898
Molecular FormulaC10H29LiO2Si2
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namelithium;butane;bis(hydroxy(trimethyl)silane)
SMILESC[Si](C)(C)O.C[Si](C)(C)O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.2C3H10OSi.Li/c1-3-4-2;2*1-5(2,3)4;/h1,3-4H2,2H3;2*4H,1-3H3;/q-1;;;+1
InChIKeyPKLXIMHJHBNFSH-UHFFFAOYSA-N
XLogP0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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butane;nickel
CID 57419181
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CID 85439871
butane;terbium(3+)
CID 21057379
butane;lithium(1-)
CID 154172744
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CID 59203345
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CID 158014640
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CID 174599553

Frequently Asked Questions

What is the IUPAC name of lithium;butane;bis(hydroxy(trimethyl)silane)?
The IUPAC name of lithium;butane;bis(hydroxy(trimethyl)silane) (CID 161138898) is lithium;butane;bis(hydroxy(trimethyl)silane).
What is the SMILES notation for lithium;butane;bis(hydroxy(trimethyl)silane)?
The canonical SMILES for lithium;butane;bis(hydroxy(trimethyl)silane) is C[Si](C)(C)O.C[Si](C)(C)O.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;bis(hydroxy(trimethyl)silane)?
The InChIKey is PKLXIMHJHBNFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.2C3H10OSi.Li/c1-3-4-2;2*1-5(2,3)4;/h1,3-4H2,2H3;2*4H,1-3H3;/q-1;;;+1.
What are the key properties of lithium;butane;bis(hydroxy(trimethyl)silane)?
lithium;butane;bis(hydroxy(trimethyl)silane) has a molecular weight of 244.45 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;bis(hydroxy(trimethyl)silane) is sourced from PubChem (CID 161138898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).