CID 177462464

C6H13LiMn — CID 177462464

IUPAC—
SMILESC=C([CH2-])C.[CH3-].[CH3-].[Li].[Mn+3]
InChIInChI=1S/C4H7.2CH3.Li.Mn/c1-4(2)3;;;;/h1-2H2,3H3;2*1H3;;/q3*-1;;+3
InChIKeyQEFMUCSLHHXJFS-UHFFFAOYSA-N
MW147.05 g/mol
LogP1.91
Rot. Bonds

About CID 177462464

CID 177462464 (PubChem CID 177462464) has the molecular formula C6H13LiMn and a molecular weight of 147.05 g/mol.

Molecular Properties

Compound NameCID 177462464
PubChem CID177462464
Molecular FormulaC6H13LiMn
Molecular Weight147.05 g/mol
Exact Mass147.06
IUPAC Name—
SMILESC=C([CH2-])C.[CH3-].[CH3-].[Li].[Mn+3]
InChIInChI=1S/C4H7.2CH3.Li.Mn/c1-4(2)3;;;;/h1-2H2,3H3;2*1H3;;/q3*-1;;+3
InChIKeyQEFMUCSLHHXJFS-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.05
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177462464?
The IUPAC name of CID 177462464 (CID 177462464) is not available.
What is the SMILES notation for CID 177462464?
The canonical SMILES for CID 177462464 is C=C([CH2-])C.[CH3-].[CH3-].[Li].[Mn+3].
What is the InChIKey of CID 177462464?
The InChIKey is QEFMUCSLHHXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7.2CH3.Li.Mn/c1-4(2)3;;;;/h1-2H2,3H3;2*1H3;;/q3*-1;;+3.
What are the key properties of CID 177462464?
CID 177462464 has a molecular weight of 147.05 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177462464 is sourced from PubChem (CID 177462464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).