CID 135046929

C11H21MnNaO3P — CID 135046929

IUPAC—
SMILESC=CC=C.C=CC=C.COP(OC)OC.[Mn].[Na]
InChIInChI=1S/2C4H6.C3H9O3P.Mn.Na/c2*1-3-4-2;1-4-7(5-2)6-3;;/h2*3-4H,1-2H2;1-3H3;;
InChIKeyJOUZARHIWCVQJR-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.49
Rot. Bonds5

About CID 135046929

CID 135046929 (PubChem CID 135046929) has the molecular formula C11H21MnNaO3P and a molecular weight of 310.19 g/mol.

Molecular Properties

Compound NameCID 135046929
PubChem CID135046929
Molecular FormulaC11H21MnNaO3P
Molecular Weight310.19 g/mol
Exact Mass310.05
IUPAC Name—
SMILESC=CC=C.C=CC=C.COP(OC)OC.[Mn].[Na]
InChIInChI=1S/2C4H6.C3H9O3P.Mn.Na/c2*1-3-4-2;1-4-7(5-2)6-3;;/h2*3-4H,1-2H2;1-3H3;;
InChIKeyJOUZARHIWCVQJR-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135046929?
The IUPAC name of CID 135046929 (CID 135046929) is not available.
What is the SMILES notation for CID 135046929?
The canonical SMILES for CID 135046929 is C=CC=C.C=CC=C.COP(OC)OC.[Mn].[Na].
What is the InChIKey of CID 135046929?
The InChIKey is JOUZARHIWCVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6.C3H9O3P.Mn.Na/c2*1-3-4-2;1-4-7(5-2)6-3;;/h2*3-4H,1-2H2;1-3H3;;.
What are the key properties of CID 135046929?
CID 135046929 has a molecular weight of 310.19 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046929 is sourced from PubChem (CID 135046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).