dilithium;4-carboxylatooxybutyl carbonate

C6H8Li2O6 — CID 101151816

IUPACdilithium;4-carboxylatooxybutyl carbonate
SMILESO=C([O-])OCCCCOC(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H10O6.2Li/c7-5(8)11-3-1-2-4-12-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyMSOUEVZQCSKVCE-UHFFFAOYSA-L
MW190.01 g/mol
LogP-7.51
Rot. Bonds5

About dilithium;4-carboxylatooxybutyl carbonate

dilithium;4-carboxylatooxybutyl carbonate (PubChem CID 101151816) has the molecular formula C6H8Li2O6 and a molecular weight of 190.01 g/mol. Its IUPAC name is dilithium;4-carboxylatooxybutyl carbonate.

Molecular Properties

Compound Namedilithium;4-carboxylatooxybutyl carbonate
PubChem CID101151816
Molecular FormulaC6H8Li2O6
Molecular Weight190.01 g/mol
Exact Mass190.06
IUPAC Namedilithium;4-carboxylatooxybutyl carbonate
SMILESO=C([O-])OCCCCOC(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H10O6.2Li/c7-5(8)11-3-1-2-4-12-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyMSOUEVZQCSKVCE-UHFFFAOYSA-L
XLogP-7.51
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 5-7.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

silver 4-hydroxybutyl carbonate
CID 121333429
6-aminohexyl carbonate
CID 59921398
hexyl carbonate;tin(4+)
CID 161248658
dodecyl carbonate;methylazanium
CID 141334888
4-methylpentyl carbonate
CID 19420106
2-aminoethyl carbonate;copper(1+)
CID 174481265
calcium propyl carbonate
CID 158672692
magnesium propyl carbonate
CID 22154995
dioctyltin(2+);bis(6-hexoxyhexyl carbonate)
CID 159316790
dioctyltin(2+);bis(5-pentoxypentyl carbonate)
CID 160556550
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl carbonate
CID 158963713
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161

Frequently Asked Questions

What is the IUPAC name of dilithium;4-carboxylatooxybutyl carbonate?
The IUPAC name of dilithium;4-carboxylatooxybutyl carbonate (CID 101151816) is dilithium;4-carboxylatooxybutyl carbonate.
What is the SMILES notation for dilithium;4-carboxylatooxybutyl carbonate?
The canonical SMILES for dilithium;4-carboxylatooxybutyl carbonate is O=C([O-])OCCCCOC(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;4-carboxylatooxybutyl carbonate?
The InChIKey is MSOUEVZQCSKVCE-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O6.2Li/c7-5(8)11-3-1-2-4-12-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of dilithium;4-carboxylatooxybutyl carbonate?
dilithium;4-carboxylatooxybutyl carbonate has a molecular weight of 190.01 g/mol, XLogP of -7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4-carboxylatooxybutyl carbonate is sourced from PubChem (CID 101151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).