CID 159051946

C15H21LiO3P — CID 159051946

IUPAC—
SMILESCOc1ccc(C(=O)PC2CCCCC2)c(OC)c1.[Li]
InChIInChI=1S/C15H21O3P.Li/c1-17-11-8-9-13(14(10-11)18-2)15(16)19-12-6-4-3-5-7-12;/h8-10,12,19H,3-7H2,1-2H3;
InChIKeyJXJINHMTEGTNCX-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.47
Rot. Bonds5

About CID 159051946

CID 159051946 (PubChem CID 159051946) has the molecular formula C15H21LiO3P and a molecular weight of 287.24 g/mol.

Molecular Properties

Compound NameCID 159051946
PubChem CID159051946
Molecular FormulaC15H21LiO3P
Molecular Weight287.24 g/mol
Exact Mass287.14
IUPAC Name—
SMILESCOc1ccc(C(=O)PC2CCCCC2)c(OC)c1.[Li]
InChIInChI=1S/C15H21O3P.Li/c1-17-11-8-9-13(14(10-11)18-2)15(16)19-12-6-4-3-5-7-12;/h8-10,12,19H,3-7H2,1-2H3;
InChIKeyJXJINHMTEGTNCX-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159051946?
The IUPAC name of CID 159051946 (CID 159051946) is not available.
What is the SMILES notation for CID 159051946?
The canonical SMILES for CID 159051946 is COc1ccc(C(=O)PC2CCCCC2)c(OC)c1.[Li].
What is the InChIKey of CID 159051946?
The InChIKey is JXJINHMTEGTNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3P.Li/c1-17-11-8-9-13(14(10-11)18-2)15(16)19-12-6-4-3-5-7-12;/h8-10,12,19H,3-7H2,1-2H3;.
What are the key properties of CID 159051946?
CID 159051946 has a molecular weight of 287.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159051946 is sourced from PubChem (CID 159051946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).