2,7-dimethylocta-2,3,5,6-tetraene

C10H14 — CID 10887961

IUPAC2,7-dimethylocta-2,3,5,6-tetraene
SMILESCC(C)=C=CC=C=C(C)C
InChIInChI=1S/C10H14/c1-9(2)7-5-6-8-10(3)4/h5-6H,1-4H3
InChIKeyBGGRAZDBASETCM-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds1

About 2,7-dimethylocta-2,3,5,6-tetraene

2,7-dimethylocta-2,3,5,6-tetraene (PubChem CID 10887961) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2,7-dimethylocta-2,3,5,6-tetraene.

Molecular Properties

Compound Name2,7-dimethylocta-2,3,5,6-tetraene
PubChem CID10887961
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2,7-dimethylocta-2,3,5,6-tetraene
SMILESCC(C)=C=CC=C=C(C)C
InChIInChI=1S/C10H14/c1-9(2)7-5-6-8-10(3)4/h5-6H,1-4H3
InChIKeyBGGRAZDBASETCM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-2,3,5,6-tetraene?
The IUPAC name of 2,7-dimethylocta-2,3,5,6-tetraene (CID 10887961) is 2,7-dimethylocta-2,3,5,6-tetraene.
What is the SMILES notation for 2,7-dimethylocta-2,3,5,6-tetraene?
The canonical SMILES for 2,7-dimethylocta-2,3,5,6-tetraene is CC(C)=C=CC=C=C(C)C.
What is the InChIKey of 2,7-dimethylocta-2,3,5,6-tetraene?
The InChIKey is BGGRAZDBASETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)7-5-6-8-10(3)4/h5-6H,1-4H3.
What are the key properties of 2,7-dimethylocta-2,3,5,6-tetraene?
2,7-dimethylocta-2,3,5,6-tetraene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-2,3,5,6-tetraene is sourced from PubChem (CID 10887961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).