lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate

C7H10ClLiO9 — CID 159164939

IUPAClithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate
SMILESC=C(C)C(=O)O.O=C1OCCO1.[Li+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H6O2.C3H4O3.ClHO4.Li/c1-3(2)4(5)6;4-3-5-1-2-6-3;2-1(3,4)5;/h1H2,2H3,(H,5,6);1-2H2;(H,2,3,4,5);/q;;;+1/p-1
InChIKeyGHBUSZZSHKZSQV-UHFFFAOYSA-M
MW280.54 g/mol
LogP-6.95
Rot. Bonds1

About lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate

lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate (PubChem CID 159164939) has the molecular formula C7H10ClLiO9 and a molecular weight of 280.54 g/mol. Its IUPAC name is lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate.

Molecular Properties

Compound Namelithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate
PubChem CID159164939
Molecular FormulaC7H10ClLiO9
Molecular Weight280.54 g/mol
Exact Mass280.02
IUPAC Namelithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate
SMILESC=C(C)C(=O)O.O=C1OCCO1.[Li+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H6O2.C3H4O3.ClHO4.Li/c1-3(2)4(5)6;4-3-5-1-2-6-3;2-1(3,4)5;/h1H2,2H3,(H,5,6);1-2H2;(H,2,3,4,5);/q;;;+1/p-1
InChIKeyGHBUSZZSHKZSQV-UHFFFAOYSA-M
XLogP-6.95
TPSA165.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 5-6.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride
CID 174971053
1,4-dioxan-2-one;bis(2-methylprop-2-enoic acid)
CID 175387730
3,4-dihydro-2,5-benzodioxocine-1,6-dione;bis(2-methylprop-2-enoic acid)
CID 158481229
1,3-dioxolan-2-one;2-methylprop-2-enoate;perchloric acid;prop-1-ene;tris(tetraethylazanium);carbonate
CID 157165826
N,N-dimethylacetamide;1,3-dioxolan-2-one
CID 158215912
1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene
CID 174975222
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
1,3-dioxolan-2-one
CID 7303
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550
dilithium;1,3-dioxolan-2-one;hydrogen phosphate
CID 174896917
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400

Frequently Asked Questions

What is the IUPAC name of lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate?
The IUPAC name of lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate (CID 159164939) is lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate.
What is the SMILES notation for lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate?
The canonical SMILES for lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate is C=C(C)C(=O)O.O=C1OCCO1.[Li+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate?
The InChIKey is GHBUSZZSHKZSQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C3H4O3.ClHO4.Li/c1-3(2)4(5)6;4-3-5-1-2-6-3;2-1(3,4)5;/h1H2,2H3,(H,5,6);1-2H2;(H,2,3,4,5);/q;;;+1/p-1.
What are the key properties of lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate?
lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate has a molecular weight of 280.54 g/mol, XLogP of -6.95, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate is sourced from PubChem (CID 159164939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).