bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium

C20H22O2Rf-2 — CID 162713080

IUPACbis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
SMILESC=Cc1ccc(CO[CH2-])cc1.C=Cc1ccc(CO[CH2-])cc1.[Rf]
InChIInChI=1S/2C10H11O.Rf/c2*1-3-9-4-6-10(7-5-9)8-11-2;/h2*3-7H,1-2,8H2;/q2*-1;
InChIKeyVRGLFRAXTRBTSF-UHFFFAOYSA-N
MW561.39 g/mol
LogP5.28
Rot. Bonds6

About bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium

bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium (PubChem CID 162713080) has the molecular formula C20H22O2Rf-2 and a molecular weight of 561.39 g/mol. Its IUPAC name is bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium.

Molecular Properties

Compound Namebis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
PubChem CID162713080
Molecular FormulaC20H22O2Rf-2
Molecular Weight561.39 g/mol
Exact Mass561.28
IUPAC Namebis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
SMILESC=Cc1ccc(CO[CH2-])cc1.C=Cc1ccc(CO[CH2-])cc1.[Rf]
InChIInChI=1S/2C10H11O.Rf/c2*1-3-9-4-6-10(7-5-9)8-11-2;/h2*3-7H,1-2,8H2;/q2*-1;
InChIKeyVRGLFRAXTRBTSF-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium?
The IUPAC name of bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium (CID 162713080) is bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium.
What is the SMILES notation for bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium?
The canonical SMILES for bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium is C=Cc1ccc(CO[CH2-])cc1.C=Cc1ccc(CO[CH2-])cc1.[Rf].
What is the InChIKey of bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium?
The InChIKey is VRGLFRAXTRBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11O.Rf/c2*1-3-9-4-6-10(7-5-9)8-11-2;/h2*3-7H,1-2,8H2;/q2*-1;.
What are the key properties of bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium?
bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium has a molecular weight of 561.39 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium is sourced from PubChem (CID 162713080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).