2,6-dimethylocta-1,3,4-triene

C10H16 — CID 123341951

IUPAC2,6-dimethylocta-1,3,4-triene
SMILESC=C(C)C=C=CC(C)CC
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h7-8,10H,2,5H2,1,3-4H3
InChIKeyYZAVKNKMOOYZFU-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.32
Rot. Bonds3

About 2,6-dimethylocta-1,3,4-triene

2,6-dimethylocta-1,3,4-triene (PubChem CID 123341951) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,6-dimethylocta-1,3,4-triene.

Molecular Properties

Compound Name2,6-dimethylocta-1,3,4-triene
PubChem CID123341951
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,6-dimethylocta-1,3,4-triene
SMILESC=C(C)C=C=CC(C)CC
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h7-8,10H,2,5H2,1,3-4H3
InChIKeyYZAVKNKMOOYZFU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-dimethylocta-1,3,4-triene with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-methylhexa-1,3,4-triene
CID 55301873
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
N-(4-methylpenta-1,2,4-trienyl)methanimine
CID 143707484
(4R)-2,4-dimethylhex-2-ene
CID 142611901
3-methylpent-1-en-1-one
CID 12743294
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
4-methyl-1-(4-methylpent-4-en-2-ynylsulfonyl)penta-1,2,4-triene
CID 11601004
3,6-dimethyloct-4-ene
CID 73165576
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
3-methylbuta-1,3-diene-1-thione
CID 14644483
2,6-dimethylocta-1,3,7-triene
CID 522318

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,3,4-triene?
The IUPAC name of 2,6-dimethylocta-1,3,4-triene (CID 123341951) is 2,6-dimethylocta-1,3,4-triene.
What is the SMILES notation for 2,6-dimethylocta-1,3,4-triene?
The canonical SMILES for 2,6-dimethylocta-1,3,4-triene is C=C(C)C=C=CC(C)CC.
What is the InChIKey of 2,6-dimethylocta-1,3,4-triene?
The InChIKey is YZAVKNKMOOYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h7-8,10H,2,5H2,1,3-4H3.
What are the key properties of 2,6-dimethylocta-1,3,4-triene?
2,6-dimethylocta-1,3,4-triene has a molecular weight of 136.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-1,3,4-triene is sourced from PubChem (CID 123341951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).