CID 159202832

C13H19LiOP — CID 159202832

IUPAC—
SMILESCCPC(=O)c1c(CC)cccc1CC.[Li]
InChIInChI=1S/C13H19OP.Li/c1-4-10-8-7-9-11(5-2)12(10)13(14)15-6-3;/h7-9,15H,4-6H2,1-3H3;
InChIKeyKPMTZDFQKFWFPT-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.27
Rot. Bonds5

About CID 159202832

CID 159202832 (PubChem CID 159202832) has the molecular formula C13H19LiOP and a molecular weight of 229.21 g/mol.

Molecular Properties

Compound NameCID 159202832
PubChem CID159202832
Molecular FormulaC13H19LiOP
Molecular Weight229.21 g/mol
Exact Mass229.13
IUPAC Name—
SMILESCCPC(=O)c1c(CC)cccc1CC.[Li]
InChIInChI=1S/C13H19OP.Li/c1-4-10-8-7-9-11(5-2)12(10)13(14)15-6-3;/h7-9,15H,4-6H2,1-3H3;
InChIKeyKPMTZDFQKFWFPT-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.27
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

2,6-diethylbenzoic acid;molecular nitrogen
CID 70486014
1-(2,6-diethylphenyl)ethanone
CID 14939611
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
2-ethyl-6-hydrazinylbenzoic acid
CID 130775048
carbonic acid;1,2-diethylbenzene
CID 89388803
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 164952151
(Z)-2,3-bis[2-(aminomethyl)-6-ethylphenyl]but-2-enedioic acid
CID 174970107
(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
CID 12975599
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543

Frequently Asked Questions

What is the IUPAC name of CID 159202832?
The IUPAC name of CID 159202832 (CID 159202832) is not available.
What is the SMILES notation for CID 159202832?
The canonical SMILES for CID 159202832 is CCPC(=O)c1c(CC)cccc1CC.[Li].
What is the InChIKey of CID 159202832?
The InChIKey is KPMTZDFQKFWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19OP.Li/c1-4-10-8-7-9-11(5-2)12(10)13(14)15-6-3;/h7-9,15H,4-6H2,1-3H3;.
What are the key properties of CID 159202832?
CID 159202832 has a molecular weight of 229.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159202832 is sourced from PubChem (CID 159202832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).