lithium 2-methanidyl-4,6-dimethoxybenzaldehyde

C10H11LiO3 — CID 10103889

IUPAClithium 2-methanidyl-4,6-dimethoxybenzaldehyde
SMILES[CH2-]c1cc(OC)cc(OC)c1C=O.[Li+]
InChIInChI=1S/C10H11O3.Li/c1-7-4-8(12-2)5-10(13-3)9(7)6-11;/h4-6H,1H2,2-3H3;/q-1;+1
InChIKeyPSHRINZVWNQNPY-UHFFFAOYSA-N
MW186.14 g/mol
LogP-1.30
Rot. Bonds3

About lithium 2-methanidyl-4,6-dimethoxybenzaldehyde

lithium 2-methanidyl-4,6-dimethoxybenzaldehyde (PubChem CID 10103889) has the molecular formula C10H11LiO3 and a molecular weight of 186.14 g/mol. Its IUPAC name is lithium 2-methanidyl-4,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Namelithium 2-methanidyl-4,6-dimethoxybenzaldehyde
PubChem CID10103889
Molecular FormulaC10H11LiO3
Molecular Weight186.14 g/mol
Exact Mass186.09
IUPAC Namelithium 2-methanidyl-4,6-dimethoxybenzaldehyde
SMILES[CH2-]c1cc(OC)cc(OC)c1C=O.[Li+]
InChIInChI=1S/C10H11O3.Li/c1-7-4-8(12-2)5-10(13-3)9(7)6-11;/h4-6H,1H2,2-3H3;/q-1;+1
InChIKeyPSHRINZVWNQNPY-UHFFFAOYSA-N
XLogP-1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-formyl-3,5-dimethoxyphenyl)boronic acid
CID 74890628
CID 89013330
CID 89013330
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
CID 101022784
CID 101022784
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
CID 163366457
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
(2E,5E)-2,5-bis[(2,4,6-trimethoxyphenyl)methylidene]cyclopentan-1-one
CID 46886189
5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde
CID 86667592
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
2-bromo-4,6-dihydroxybenzaldehyde;2-bromo-4,6-dimethoxybenzaldehyde;tribromoborane
CID 157293715

Frequently Asked Questions

What is the IUPAC name of lithium 2-methanidyl-4,6-dimethoxybenzaldehyde?
The IUPAC name of lithium 2-methanidyl-4,6-dimethoxybenzaldehyde (CID 10103889) is lithium 2-methanidyl-4,6-dimethoxybenzaldehyde.
What is the SMILES notation for lithium 2-methanidyl-4,6-dimethoxybenzaldehyde?
The canonical SMILES for lithium 2-methanidyl-4,6-dimethoxybenzaldehyde is [CH2-]c1cc(OC)cc(OC)c1C=O.[Li+].
What is the InChIKey of lithium 2-methanidyl-4,6-dimethoxybenzaldehyde?
The InChIKey is PSHRINZVWNQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3.Li/c1-7-4-8(12-2)5-10(13-3)9(7)6-11;/h4-6H,1H2,2-3H3;/q-1;+1.
What are the key properties of lithium 2-methanidyl-4,6-dimethoxybenzaldehyde?
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde has a molecular weight of 186.14 g/mol, XLogP of -1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidyl-4,6-dimethoxybenzaldehyde is sourced from PubChem (CID 10103889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).