CID 158168490

C13H19LiOP — CID 158168490

IUPAC—
SMILESCc1cccc(C)c1C(=O)PCC(C)C.[Li]
InChIInChI=1S/C13H19OP.Li/c1-9(2)8-15-13(14)12-10(3)6-5-7-11(12)4;/h5-7,9,15H,8H2,1-4H3;
InChIKeyFXDKRWRSBKAILU-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.40
Rot. Bonds4

About CID 158168490

CID 158168490 (PubChem CID 158168490) has the molecular formula C13H19LiOP and a molecular weight of 229.21 g/mol.

Molecular Properties

Compound NameCID 158168490
PubChem CID158168490
Molecular FormulaC13H19LiOP
Molecular Weight229.21 g/mol
Exact Mass229.13
IUPAC Name—
SMILESCc1cccc(C)c1C(=O)PCC(C)C.[Li]
InChIInChI=1S/C13H19OP.Li/c1-9(2)8-15-13(14)12-10(3)6-5-7-11(12)4;/h5-7,9,15H,8H2,1-4H3;
InChIKeyFXDKRWRSBKAILU-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.40
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

CID 159254576
CID 159254576
CID 70014251
CID 70014251
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
CID 70012768
CID 70012768
CID 160597109
CID 160597109
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
CID 18513809
[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone
CID 134261084
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
CID 70016722
CID 70016722
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583

Frequently Asked Questions

What is the IUPAC name of CID 158168490?
The IUPAC name of CID 158168490 (CID 158168490) is not available.
What is the SMILES notation for CID 158168490?
The canonical SMILES for CID 158168490 is Cc1cccc(C)c1C(=O)PCC(C)C.[Li].
What is the InChIKey of CID 158168490?
The InChIKey is FXDKRWRSBKAILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19OP.Li/c1-9(2)8-15-13(14)12-10(3)6-5-7-11(12)4;/h5-7,9,15H,8H2,1-4H3;.
What are the key properties of CID 158168490?
CID 158168490 has a molecular weight of 229.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158168490 is sourced from PubChem (CID 158168490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).