lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide

C14H20LiO4P — CID 141023181

IUPAClithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
SMILESCOc1ccc(OC)c(C(=O)[P-]CC(C)C)c1OC.[Li+]
InChIInChI=1S/C14H20O4P.Li/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;/h6-7,9H,8H2,1-5H3;/q-1;+1
InChIKeyRUSICCYZTSPDGG-UHFFFAOYSA-N
MW290.22 g/mol
LogP0.46
Rot. Bonds7

About lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide

lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide (PubChem CID 141023181) has the molecular formula C14H20LiO4P and a molecular weight of 290.22 g/mol. Its IUPAC name is lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide.

Molecular Properties

Compound Namelithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
PubChem CID141023181
Molecular FormulaC14H20LiO4P
Molecular Weight290.22 g/mol
Exact Mass290.13
IUPAC Namelithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
SMILESCOc1ccc(OC)c(C(=O)[P-]CC(C)C)c1OC.[Li+]
InChIInChI=1S/C14H20O4P.Li/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;/h6-7,9H,8H2,1-5H3;/q-1;+1
InChIKeyRUSICCYZTSPDGG-UHFFFAOYSA-N
XLogP0.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
CID 174400572
lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141022766
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
2-methylpropyl 3-chlorosulfonyl-2,6-dimethoxybenzoate
CID 65398129
CID 162326255
CID 162326255
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399349
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide?
The IUPAC name of lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide (CID 141023181) is lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide.
What is the SMILES notation for lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide?
The canonical SMILES for lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide is COc1ccc(OC)c(C(=O)[P-]CC(C)C)c1OC.[Li+].
What is the InChIKey of lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide?
The InChIKey is RUSICCYZTSPDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4P.Li/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;/h6-7,9H,8H2,1-5H3;/q-1;+1.
What are the key properties of lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide?
lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide has a molecular weight of 290.22 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide is sourced from PubChem (CID 141023181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).