4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)

C11H22O2Rf2-2 — CID 58680246

IUPAC4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)
SMILES[CH2-]OCC(CCC)(CCC)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C11H22O2.2Rf/c1-5-7-11(8-6-2,9-12-3)10-13-4;;/h3-10H2,1-2H3;;/q-2;;
InChIKeyQWASIKOMAJRKOR-UHFFFAOYSA-N
MW720.29 g/mol
LogP3.19
Rot. Bonds8

About 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)

4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium) (PubChem CID 58680246) has the molecular formula C11H22O2Rf2-2 and a molecular weight of 720.29 g/mol. Its IUPAC name is 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium).

Molecular Properties

Compound Name4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)
PubChem CID58680246
Molecular FormulaC11H22O2Rf2-2
Molecular Weight720.29 g/mol
Exact Mass720.41
IUPAC Name4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)
SMILES[CH2-]OCC(CCC)(CCC)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C11H22O2.2Rf/c1-5-7-11(8-6-2,9-12-3)10-13-4;;/h3-10H2,1-2H3;;/q-2;;
InChIKeyQWASIKOMAJRKOR-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.29
LogP ≤ 53.19
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 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)?
The IUPAC name of 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium) (CID 58680246) is 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium).
What is the SMILES notation for 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)?
The canonical SMILES for 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium) is [CH2-]OCC(CCC)(CCC)CO[CH2-].[Rf].[Rf].
What is the InChIKey of 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)?
The InChIKey is QWASIKOMAJRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.2Rf/c1-5-7-11(8-6-2,9-12-3)10-13-4;;/h3-10H2,1-2H3;;/q-2;;.
What are the key properties of 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium)?
4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium) has a molecular weight of 720.29 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methanidyloxymethyl)heptane;bis(rutherfordium) is sourced from PubChem (CID 58680246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).