lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride

C15H22LiOP — CID 174463897

IUPAClithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride
SMILESCc1ccc(C)c(C(=O)PC2CCCC2)c1C.[H-].[Li+]
InChIInChI=1S/C15H21OP.Li.H/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;;/h8-9,13,17H,4-7H2,1-3H3;;/q;+1;-1
InChIKeyFLVBUGSQCKTEEQ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.49
Rot. Bonds3

About lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride

lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride (PubChem CID 174463897) has the molecular formula C15H22LiOP and a molecular weight of 256.25 g/mol. Its IUPAC name is lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride
PubChem CID174463897
Molecular FormulaC15H22LiOP
Molecular Weight256.25 g/mol
Exact Mass256.16
IUPAC Namelithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride
SMILESCc1ccc(C)c(C(=O)PC2CCCC2)c1C.[H-].[Li+]
InChIInChI=1S/C15H21OP.Li.H/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;;/h8-9,13,17H,4-7H2,1-3H3;;/q;+1;-1
InChIKeyFLVBUGSQCKTEEQ-UHFFFAOYSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.49
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;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 174401232
lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141022858
lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride
CID 174440508
CID 159103638
CID 159103638
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
2,3,6-trimethylbenzoyl chloride
CID 20662008
CID 159051946
CID 159051946
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

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride?
The IUPAC name of lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride (CID 174463897) is lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride?
The canonical SMILES for lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride is Cc1ccc(C)c(C(=O)PC2CCCC2)c1C.[H-].[Li+].
What is the InChIKey of lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride?
The InChIKey is FLVBUGSQCKTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21OP.Li.H/c1-10-8-9-11(2)14(12(10)3)15(16)17-13-6-4-5-7-13;;/h8-9,13,17H,4-7H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride?
lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride has a molecular weight of 256.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride is sourced from PubChem (CID 174463897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).