CID 58720387

C8H15O2Rf- — CID 58720387

IUPAC—
SMILESCC[C-]1COC(C)(C)OC1.[Rf]
InChIInChI=1S/C8H15O2.Rf/c1-4-7-5-9-8(2,3)10-6-7;/h4-6H2,1-3H3;/q-1;
InChIKeyLLBLMYUXCYODMP-UHFFFAOYSA-N
MW410.21 g/mol
LogP1.75
Rot. Bonds1

About CID 58720387

CID 58720387 (PubChem CID 58720387) has the molecular formula C8H15O2Rf- and a molecular weight of 410.21 g/mol.

Molecular Properties

Compound NameCID 58720387
PubChem CID58720387
Molecular FormulaC8H15O2Rf-
Molecular Weight410.21 g/mol
Exact Mass410.23
IUPAC Name—
SMILESCC[C-]1COC(C)(C)OC1.[Rf]
InChIInChI=1S/C8H15O2.Rf/c1-4-7-5-9-8(2,3)10-6-7;/h4-6H2,1-3H3;/q-1;
InChIKeyLLBLMYUXCYODMP-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 51.75
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 CID 58720387?
The IUPAC name of CID 58720387 (CID 58720387) is not available.
What is the SMILES notation for CID 58720387?
The canonical SMILES for CID 58720387 is CC[C-]1COC(C)(C)OC1.[Rf].
What is the InChIKey of CID 58720387?
The InChIKey is LLBLMYUXCYODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2.Rf/c1-4-7-5-9-8(2,3)10-6-7;/h4-6H2,1-3H3;/q-1;.
What are the key properties of CID 58720387?
CID 58720387 has a molecular weight of 410.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58720387 is sourced from PubChem (CID 58720387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).