2,5-dimethylhexa-2,4-diene

C8H14 — CID 12992

IUPAC2,5-dimethylhexa-2,4-diene
SMILESCC(C)=CC=C(C)C
InChIInChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKeyDZPCYXCBXGQBRN-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds1

About 2,5-dimethylhexa-2,4-diene

2,5-dimethylhexa-2,4-diene (PubChem CID 12992) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2,5-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name2,5-dimethylhexa-2,4-diene
PubChem CID12992
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2,5-dimethylhexa-2,4-diene
SMILESCC(C)=CC=C(C)C
InChIInChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKeyDZPCYXCBXGQBRN-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-butene
CID 10553
4-Methyl-1,3-pentadiene
CID 13555
2-Methyl-2,4-hexadiene
CID 5367611
(E,E,E)-2,4,6-Octatriene
CID 5368766
2-Methylhexa-2,4-diene
CID 520396
2,7-Dimethyl-2,4,6-octatriene
CID 11116127
2-Methylbut-2-ene;penta-1,3-diene
CID 168610
Npc87960
CID 12533128
Isobutene-butadiene
CID 168559
(4Z)-2,7-dimethylocta-2,4,6-triene
CID 23261125
(E,Z)-2,4,6-octatriene
CID 91748020
2,3,5,6-Octatetraene, 2,7-dimethyl-
CID 10887961

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexa-2,4-diene?
The IUPAC name of 2,5-dimethylhexa-2,4-diene (CID 12992) is 2,5-dimethylhexa-2,4-diene.
What is the SMILES notation for 2,5-dimethylhexa-2,4-diene?
The canonical SMILES for 2,5-dimethylhexa-2,4-diene is CC(C)=CC=C(C)C.
What is the InChIKey of 2,5-dimethylhexa-2,4-diene?
The InChIKey is DZPCYXCBXGQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3.
What are the key properties of 2,5-dimethylhexa-2,4-diene?
2,5-dimethylhexa-2,4-diene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexa-2,4-diene is sourced from PubChem (CID 12992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).