7,7-dimethylocta-1,4,5-triene

C10H16 — CID 14814094

IUPAC7,7-dimethylocta-1,4,5-triene
SMILESC=CCC=C=CC(C)(C)C
InChIInChI=1S/C10H16/c1-5-6-7-8-9-10(2,3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyIZYNDJTZIBOHDU-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.32
Rot. Bonds2

About 7,7-dimethylocta-1,4,5-triene

7,7-dimethylocta-1,4,5-triene (PubChem CID 14814094) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7,7-dimethylocta-1,4,5-triene.

Molecular Properties

Compound Name7,7-dimethylocta-1,4,5-triene
PubChem CID14814094
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7,7-dimethylocta-1,4,5-triene
SMILESC=CCC=C=CC(C)(C)C
InChIInChI=1S/C10H16/c1-5-6-7-8-9-10(2,3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyIZYNDJTZIBOHDU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylocta-1,4,5-triene?
The IUPAC name of 7,7-dimethylocta-1,4,5-triene (CID 14814094) is 7,7-dimethylocta-1,4,5-triene.
What is the SMILES notation for 7,7-dimethylocta-1,4,5-triene?
The canonical SMILES for 7,7-dimethylocta-1,4,5-triene is C=CCC=C=CC(C)(C)C.
What is the InChIKey of 7,7-dimethylocta-1,4,5-triene?
The InChIKey is IZYNDJTZIBOHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-7-8-9-10(2,3)4/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 7,7-dimethylocta-1,4,5-triene?
7,7-dimethylocta-1,4,5-triene has a molecular weight of 136.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylocta-1,4,5-triene is sourced from PubChem (CID 14814094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).