lithium;prop-2-enoate;styrene

C11H11LiO2 — CID 163806706

IUPAClithium;prop-2-enoate;styrene
SMILESC=CC(=O)[O-].C=Cc1ccccc1.[Li+]
InChIInChI=1S/C8H8.C3H4O2.Li/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h2-7H,1H2;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyNJQJHWHQNFLKKB-UHFFFAOYSA-M
MW182.15 g/mol
LogP-1.74
Rot. Bonds2

About lithium;prop-2-enoate;styrene

lithium;prop-2-enoate;styrene (PubChem CID 163806706) has the molecular formula C11H11LiO2 and a molecular weight of 182.15 g/mol. Its IUPAC name is lithium;prop-2-enoate;styrene.

Molecular Properties

Compound Namelithium;prop-2-enoate;styrene
PubChem CID163806706
Molecular FormulaC11H11LiO2
Molecular Weight182.15 g/mol
Exact Mass182.09
IUPAC Namelithium;prop-2-enoate;styrene
SMILESC=CC(=O)[O-].C=Cc1ccccc1.[Li+]
InChIInChI=1S/C8H8.C3H4O2.Li/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h2-7H,1H2;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyNJQJHWHQNFLKKB-UHFFFAOYSA-M
XLogP-1.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;prop-2-enoate;styrene?
The IUPAC name of lithium;prop-2-enoate;styrene (CID 163806706) is lithium;prop-2-enoate;styrene.
What is the SMILES notation for lithium;prop-2-enoate;styrene?
The canonical SMILES for lithium;prop-2-enoate;styrene is C=CC(=O)[O-].C=Cc1ccccc1.[Li+].
What is the InChIKey of lithium;prop-2-enoate;styrene?
The InChIKey is NJQJHWHQNFLKKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8.C3H4O2.Li/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h2-7H,1H2;2H,1H2,(H,4,5);/q;;+1/p-1.
What are the key properties of lithium;prop-2-enoate;styrene?
lithium;prop-2-enoate;styrene has a molecular weight of 182.15 g/mol, XLogP of -1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;prop-2-enoate;styrene is sourced from PubChem (CID 163806706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).