lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide

C15H20LiOP — CID 141022858

IUPAClithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide
SMILESCc1ccc(C)c(C(=O)[P-]C2CCCC2)c1C.[Li+]
InChIInChI=1S/C15H20OP.Li/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;/h8-9,13H,4-7H2,1-3H3;/q-1;+1
InChIKeyHTFYKPPSIGIDBI-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.64
Rot. Bonds3

About lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide

lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide (PubChem CID 141022858) has the molecular formula C15H20LiOP and a molecular weight of 254.24 g/mol. Its IUPAC name is lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide
PubChem CID141022858
Molecular FormulaC15H20LiOP
Molecular Weight254.24 g/mol
Exact Mass254.14
IUPAC Namelithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide
SMILESCc1ccc(C)c(C(=O)[P-]C2CCCC2)c1C.[Li+]
InChIInChI=1S/C15H20OP.Li/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;/h8-9,13H,4-7H2,1-3H3;/q-1;+1
InChIKeyHTFYKPPSIGIDBI-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride
CID 174463897
lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141016257
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
2,3,6-trimethylbenzoyl chloride
CID 20662008
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
ethyl 2,3,6-trimethylbenzoate
CID 13126297
bis(2-cyclobutyl-3,4-dimethylphenyl)methanone
CID 73011576
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
cyclohexane;2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 67877311

Frequently Asked Questions

What is the IUPAC name of lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide?
The IUPAC name of lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide (CID 141022858) is lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide.
What is the SMILES notation for lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide?
The canonical SMILES for lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide is Cc1ccc(C)c(C(=O)[P-]C2CCCC2)c1C.[Li+].
What is the InChIKey of lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide?
The InChIKey is HTFYKPPSIGIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OP.Li/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;/h8-9,13H,4-7H2,1-3H3;/q-1;+1.
What are the key properties of lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide?
lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide has a molecular weight of 254.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide is sourced from PubChem (CID 141022858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).