CID 58250159

C8H8 — CID 58250159

IUPAC—
SMILES[CH]C#CCCC#CC
InChIInChI=1S/C8H8/c1-3-5-7-8-6-4-2/h1H,7-8H2,2H3
InChIKeyGRWXKUBQUFRZLY-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.50
Rot. Bonds1

About CID 58250159

CID 58250159 (PubChem CID 58250159) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol.

Molecular Properties

Compound NameCID 58250159
PubChem CID58250159
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name—
SMILES[CH]C#CCCC#CC
InChIInChI=1S/C8H8/c1-3-5-7-8-6-4-2/h1H,7-8H2,2H3
InChIKeyGRWXKUBQUFRZLY-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58250159?
The IUPAC name of CID 58250159 (CID 58250159) is not available.
What is the SMILES notation for CID 58250159?
The canonical SMILES for CID 58250159 is [CH]C#CCCC#CC.
What is the InChIKey of CID 58250159?
The InChIKey is GRWXKUBQUFRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h1H,7-8H2,2H3.
What are the key properties of CID 58250159?
CID 58250159 has a molecular weight of 104.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58250159 is sourced from PubChem (CID 58250159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).