lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide

C11H12Cl2LiOP — CID 141023129

IUPAClithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)cccc1Cl.[Li+]
InChIInChI=1S/C11H12Cl2OP.Li/c12-8-4-3-5-9(13)11(8)10(14)6-1-2-7-15;/h3-5,15H,1-2,6-7H2;/q-1;+1
InChIKeyZSGQNZQSTATOBQ-UHFFFAOYSA-N
MW269.04 g/mol
LogP1.49
Rot. Bonds5

About lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide

lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide (PubChem CID 141023129) has the molecular formula C11H12Cl2LiOP and a molecular weight of 269.04 g/mol. Its IUPAC name is lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide.

Molecular Properties

Compound Namelithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
PubChem CID141023129
Molecular FormulaC11H12Cl2LiOP
Molecular Weight269.04 g/mol
Exact Mass268.02
IUPAC Namelithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)cccc1Cl.[Li+]
InChIInChI=1S/C11H12Cl2OP.Li/c12-8-4-3-5-9(13)11(8)10(14)6-1-2-7-15;/h3-5,15H,1-2,6-7H2;/q-1;+1
InChIKeyZSGQNZQSTATOBQ-UHFFFAOYSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.04
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
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1-(2,6-dichlorophenyl)heptan-1-one
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6-bromo-1-(2,6-dichlorophenyl)hexan-1-one
CID 146009476
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
1-(2,6-dichlorophenyl)pent-4-yn-1-one
CID 114972777
1-(2,6-dichlorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one
CID 24727962
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
CID 159993809
CID 159993809

Frequently Asked Questions

What is the IUPAC name of lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide?
The IUPAC name of lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide (CID 141023129) is lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide.
What is the SMILES notation for lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide?
The canonical SMILES for lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide is O=C(CCCC[PH-])c1c(Cl)cccc1Cl.[Li+].
What is the InChIKey of lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide?
The InChIKey is ZSGQNZQSTATOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2OP.Li/c12-8-4-3-5-9(13)11(8)10(14)6-1-2-7-15;/h3-5,15H,1-2,6-7H2;/q-1;+1.
What are the key properties of lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide?
lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide has a molecular weight of 269.04 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide is sourced from PubChem (CID 141023129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).