CID 6431953

C6H5 — CID 6431953

IUPAC—
SMILESC#C[CH]CC#C
InChIInChI=1S/C6H5/c1-3-5-6-4-2/h1-2,5H,6H2
InChIKeyUMFJGJFSNKBCNL-UHFFFAOYSA-N
MW77.11 g/mol
LogP0.85
Rot. Bonds1

About CID 6431953

CID 6431953 (PubChem CID 6431953) has the molecular formula C6H5 and a molecular weight of 77.11 g/mol.

Molecular Properties

Compound NameCID 6431953
PubChem CID6431953
Molecular FormulaC6H5
Molecular Weight77.11 g/mol
Exact Mass77.04
IUPAC Name—
SMILESC#C[CH]CC#C
InChIInChI=1S/C6H5/c1-3-5-6-4-2/h1-2,5H,6H2
InChIKeyUMFJGJFSNKBCNL-UHFFFAOYSA-N
XLogP0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.11
LogP ≤ 50.85
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 6431953?
The IUPAC name of CID 6431953 (CID 6431953) is not available.
What is the SMILES notation for CID 6431953?
The canonical SMILES for CID 6431953 is C#C[CH]CC#C.
What is the InChIKey of CID 6431953?
The InChIKey is UMFJGJFSNKBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5/c1-3-5-6-4-2/h1-2,5H,6H2.
What are the key properties of CID 6431953?
CID 6431953 has a molecular weight of 77.11 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6431953 is sourced from PubChem (CID 6431953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).