lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide

C25H34LiO3P — CID 141015912

IUPAClithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
SMILESCCCCCOc1ccc([P-]C(=O)c2c(C)cccc2C)c(OCCCCC)c1.[Li+]
InChIInChI=1S/C25H34O3P.Li/c1-5-7-9-16-27-21-14-15-23(22(18-21)28-17-10-8-6-2)29-25(26)24-19(3)12-11-13-20(24)4;/h11-15,18H,5-10,16-17H2,1-4H3;/q-1;+1
InChIKeyZMWTUWLUZZLTGY-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.86
Rot. Bonds13

About lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide

lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide (PubChem CID 141015912) has the molecular formula C25H34LiO3P and a molecular weight of 420.46 g/mol. Its IUPAC name is lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide.

Molecular Properties

Compound Namelithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
PubChem CID141015912
Molecular FormulaC25H34LiO3P
Molecular Weight420.46 g/mol
Exact Mass420.24
IUPAC Namelithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
SMILESCCCCCOc1ccc([P-]C(=O)c2c(C)cccc2C)c(OCCCCC)c1.[Li+]
InChIInChI=1S/C25H34O3P.Li/c1-5-7-9-16-27-21-14-15-23(22(18-21)28-17-10-8-6-2)29-25(26)24-19(3)12-11-13-20(24)4;/h11-15,18H,5-10,16-17H2,1-4H3;/q-1;+1
InChIKeyZMWTUWLUZZLTGY-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141016208
lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
CID 141016660
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(2,6-dimethylphenyl)-(4-dodecoxyphenyl)methanone
CID 90192160
(2,6-dimethylphenyl)-(2,4-dipentoxyphenyl)phosphanylidenemethanolate
CID 141015913
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
4-decoxy-2-hexoxybenzoic acid
CID 141156533
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
(2,6-dimethylphenyl)-(2,4,6-tributoxyphenyl)phosphanylidenemethanolate
CID 141016517
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The IUPAC name of lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide (CID 141015912) is lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide.
What is the SMILES notation for lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The canonical SMILES for lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide is CCCCCOc1ccc([P-]C(=O)c2c(C)cccc2C)c(OCCCCC)c1.[Li+].
What is the InChIKey of lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The InChIKey is ZMWTUWLUZZLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3P.Li/c1-5-7-9-16-27-21-14-15-23(22(18-21)28-17-10-8-6-2)29-25(26)24-19(3)12-11-13-20(24)4;/h11-15,18H,5-10,16-17H2,1-4H3;/q-1;+1.
What are the key properties of lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide has a molecular weight of 420.46 g/mol, XLogP of 3.86, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide is sourced from PubChem (CID 141015912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).