hexa-1,5-diene

C6H10 — CID 11598

IUPAChexa-1,5-diene
SMILESC=CCCC=C
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
InChIKeyPYGSKMBEVAICCR-UHFFFAOYSA-N
MW82.15 g/mol
LogP2.14
Rot. Bonds3

About hexa-1,5-diene

hexa-1,5-diene (PubChem CID 11598) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is hexa-1,5-diene.

Molecular Properties

Compound Namehexa-1,5-diene
PubChem CID11598
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Namehexa-1,5-diene
SMILESC=CCCC=C
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
InChIKeyPYGSKMBEVAICCR-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexa-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-diene?
The IUPAC name of hexa-1,5-diene (CID 11598) is hexa-1,5-diene.
What is the SMILES notation for hexa-1,5-diene?
The canonical SMILES for hexa-1,5-diene is C=CCCC=C.
What is the InChIKey of hexa-1,5-diene?
The InChIKey is PYGSKMBEVAICCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of hexa-1,5-diene?
hexa-1,5-diene has a molecular weight of 82.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-diene is sourced from PubChem (CID 11598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).