CID 90716978

C6H9+ — CID 90716978

IUPAC—
SMILESCC1CC2[CH+]C12
InChIInChI=1S/C6H9/c1-4-2-5-3-6(4)5/h3-6H,2H2,1H3/q+1
InChIKeyLXMODKTVLCKXIY-UHFFFAOYSA-N
MW81.14 g/mol
LogP1.48
Rot. Bonds

About CID 90716978

CID 90716978 (PubChem CID 90716978) has the molecular formula C6H9+ and a molecular weight of 81.14 g/mol.

Molecular Properties

Compound NameCID 90716978
PubChem CID90716978
Molecular FormulaC6H9+
Molecular Weight81.14 g/mol
Exact Mass81.07
IUPAC Name—
SMILESCC1CC2[CH+]C12
InChIInChI=1S/C6H9/c1-4-2-5-3-6(4)5/h3-6H,2H2,1H3/q+1
InChIKeyLXMODKTVLCKXIY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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 90716978?
The IUPAC name of CID 90716978 (CID 90716978) is not available.
What is the SMILES notation for CID 90716978?
The canonical SMILES for CID 90716978 is CC1CC2[CH+]C12.
What is the InChIKey of CID 90716978?
The InChIKey is LXMODKTVLCKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9/c1-4-2-5-3-6(4)5/h3-6H,2H2,1H3/q+1.
What are the key properties of CID 90716978?
CID 90716978 has a molecular weight of 81.14 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90716978 is sourced from PubChem (CID 90716978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).