CID 58782405

C6H8 — CID 58782405

IUPAC—
SMILES[CH]C/C=C\C[CH]
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1-2,5-6H,3-4H2/b6-5-
InChIKeyGIRBSVAKHLQWJH-WAYWQWQTSA-N
MW80.13 g/mol
LogP1.74
Rot. Bonds2

About CID 58782405

CID 58782405 (PubChem CID 58782405) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol.

Molecular Properties

Compound NameCID 58782405
PubChem CID58782405
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name—
SMILES[CH]C/C=C\C[CH]
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1-2,5-6H,3-4H2/b6-5-
InChIKeyGIRBSVAKHLQWJH-WAYWQWQTSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58782405?
The IUPAC name of CID 58782405 (CID 58782405) is not available.
What is the SMILES notation for CID 58782405?
The canonical SMILES for CID 58782405 is [CH]C/C=C\C[CH].
What is the InChIKey of CID 58782405?
The InChIKey is GIRBSVAKHLQWJH-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8/c1-3-5-6-4-2/h1-2,5-6H,3-4H2/b6-5-.
What are the key properties of CID 58782405?
CID 58782405 has a molecular weight of 80.13 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58782405 is sourced from PubChem (CID 58782405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).