CID 90794096

C6H9- — CID 90794096

IUPAC—
SMILESCC1CC2C[C-]12
InChIInChI=1S/C6H9/c1-4-2-5-3-6(4)5/h4-5H,2-3H2,1H3/q-1
InChIKeyMIHSMNLLGQNYBO-UHFFFAOYSA-N
MW81.14 g/mol
LogP1.62
Rot. Bonds

About CID 90794096

CID 90794096 (PubChem CID 90794096) has the molecular formula C6H9- and a molecular weight of 81.14 g/mol.

Molecular Properties

Compound NameCID 90794096
PubChem CID90794096
Molecular FormulaC6H9-
Molecular Weight81.14 g/mol
Exact Mass81.07
IUPAC Name—
SMILESCC1CC2C[C-]12
InChIInChI=1S/C6H9/c1-4-2-5-3-6(4)5/h4-5H,2-3H2,1H3/q-1
InChIKeyMIHSMNLLGQNYBO-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.14
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 90794096?
The IUPAC name of CID 90794096 (CID 90794096) is not available.
What is the SMILES notation for CID 90794096?
The canonical SMILES for CID 90794096 is CC1CC2C[C-]12.
What is the InChIKey of CID 90794096?
The InChIKey is MIHSMNLLGQNYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9/c1-4-2-5-3-6(4)5/h4-5H,2-3H2,1H3/q-1.
What are the key properties of CID 90794096?
CID 90794096 has a molecular weight of 81.14 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90794096 is sourced from PubChem (CID 90794096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).