CID 172720905

C12H27LiOP — CID 172720905

IUPAC—
SMILESCCCCP(=O)(CCCC)CCCC.[Li]
InChIInChI=1S/C12H27OP.Li/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;
InChIKeyGMRLWZOYDFMPEO-UHFFFAOYSA-N
MW225.26 g/mol
LogP4.37
Rot. Bonds9

About CID 172720905

CID 172720905 (PubChem CID 172720905) has the molecular formula C12H27LiOP and a molecular weight of 225.26 g/mol.

Molecular Properties

Compound NameCID 172720905
PubChem CID172720905
Molecular FormulaC12H27LiOP
Molecular Weight225.26 g/mol
Exact Mass225.20
IUPAC Name—
SMILESCCCCP(=O)(CCCC)CCCC.[Li]
InChIInChI=1S/C12H27OP.Li/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;
InChIKeyGMRLWZOYDFMPEO-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 54.37
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

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Frequently Asked Questions

What is the IUPAC name of CID 172720905?
The IUPAC name of CID 172720905 (CID 172720905) is not available.
What is the SMILES notation for CID 172720905?
The canonical SMILES for CID 172720905 is CCCCP(=O)(CCCC)CCCC.[Li].
What is the InChIKey of CID 172720905?
The InChIKey is GMRLWZOYDFMPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OP.Li/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;.
What are the key properties of CID 172720905?
CID 172720905 has a molecular weight of 225.26 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172720905 is sourced from PubChem (CID 172720905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).