octa-1,2-diene

C8H14 — CID 10464316

IUPACocta-1,2-diene
SMILESC=C=CCCCCC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5H,1,4,6-8H2,2H3
InChIKeyZCNGIANFOSHGME-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.91
Rot. Bonds4

About octa-1,2-diene

octa-1,2-diene (PubChem CID 10464316) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is octa-1,2-diene.

Molecular Properties

Compound Nameocta-1,2-diene
PubChem CID10464316
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Nameocta-1,2-diene
SMILESC=C=CCCCCC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5H,1,4,6-8H2,2H3
InChIKeyZCNGIANFOSHGME-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octa-1,2-diene?
The IUPAC name of octa-1,2-diene (CID 10464316) is octa-1,2-diene.
What is the SMILES notation for octa-1,2-diene?
The canonical SMILES for octa-1,2-diene is C=C=CCCCCC.
What is the InChIKey of octa-1,2-diene?
The InChIKey is ZCNGIANFOSHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5H,1,4,6-8H2,2H3.
What are the key properties of octa-1,2-diene?
octa-1,2-diene has a molecular weight of 110.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,2-diene is sourced from PubChem (CID 10464316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).