2,6-dimethylocta-1,4,7-triene

C10H16 — CID 71437037

IUPAC2,6-dimethylocta-1,4,7-triene
SMILESC=CC(C)C=CCC(=C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyUVDIEZOBRSTXFC-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds4

About 2,6-dimethylocta-1,4,7-triene

2,6-dimethylocta-1,4,7-triene (PubChem CID 71437037) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,6-dimethylocta-1,4,7-triene.

Molecular Properties

Compound Name2,6-dimethylocta-1,4,7-triene
PubChem CID71437037
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,6-dimethylocta-1,4,7-triene
SMILESC=CC(C)C=CCC(=C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyUVDIEZOBRSTXFC-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
3-methylocta-1,4-diene
CID 123442447
2,7-dimethylocta-1,4-diene
CID 91198698
2,6,6,7-tetramethylocta-1,4-diene
CID 123444802
carbonic acid;3-methylocta-1,4,7-triene
CID 88742422
(4E)-2-methylhexa-1,4-diene
CID 5367524
9-methylundeca-1,3,7,10-tetraene
CID 154197788
2-methylbut-3-enal;2-methylprop-2-en-1-ol
CID 88783998
acetic acid;11-methyltrideca-9,12-dien-1-ol
CID 71404204
(4E,8E)-3,7-dimethyldeca-1,4,8-triene
CID 22679021
3,6-dimethylocta-1,4,6-triene
CID 90763944
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,4,7-triene?
The IUPAC name of 2,6-dimethylocta-1,4,7-triene (CID 71437037) is 2,6-dimethylocta-1,4,7-triene.
What is the SMILES notation for 2,6-dimethylocta-1,4,7-triene?
The canonical SMILES for 2,6-dimethylocta-1,4,7-triene is C=CC(C)C=CCC(=C)C.
What is the InChIKey of 2,6-dimethylocta-1,4,7-triene?
The InChIKey is UVDIEZOBRSTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-6,8,10H,1-2,7H2,3-4H3.
What are the key properties of 2,6-dimethylocta-1,4,7-triene?
2,6-dimethylocta-1,4,7-triene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-1,4,7-triene is sourced from PubChem (CID 71437037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).