3,8-dimethylnona-1,3,6,7-tetraene

C11H16 — CID 123824370

IUPAC3,8-dimethylnona-1,3,6,7-tetraene
SMILESC=CC(C)=CCC=C=C(C)C
InChIInChI=1S/C11H16/c1-5-11(4)9-7-6-8-10(2)3/h5-6,9H,1,7H2,2-4H3
InChIKeyHQMRWUQJUXEWKQ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.63
Rot. Bonds3

About 3,8-dimethylnona-1,3,6,7-tetraene

3,8-dimethylnona-1,3,6,7-tetraene (PubChem CID 123824370) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3,8-dimethylnona-1,3,6,7-tetraene.

Molecular Properties

Compound Name3,8-dimethylnona-1,3,6,7-tetraene
PubChem CID123824370
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3,8-dimethylnona-1,3,6,7-tetraene
SMILESC=CC(C)=CCC=C=C(C)C
InChIInChI=1S/C11H16/c1-5-11(4)9-7-6-8-10(2)3/h5-6,9H,1,7H2,2-4H3
InChIKeyHQMRWUQJUXEWKQ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.63
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 3,8-dimethylnona-1,3,6,7-tetraene?
The IUPAC name of 3,8-dimethylnona-1,3,6,7-tetraene (CID 123824370) is 3,8-dimethylnona-1,3,6,7-tetraene.
What is the SMILES notation for 3,8-dimethylnona-1,3,6,7-tetraene?
The canonical SMILES for 3,8-dimethylnona-1,3,6,7-tetraene is C=CC(C)=CCC=C=C(C)C.
What is the InChIKey of 3,8-dimethylnona-1,3,6,7-tetraene?
The InChIKey is HQMRWUQJUXEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-11(4)9-7-6-8-10(2)3/h5-6,9H,1,7H2,2-4H3.
What are the key properties of 3,8-dimethylnona-1,3,6,7-tetraene?
3,8-dimethylnona-1,3,6,7-tetraene has a molecular weight of 148.25 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylnona-1,3,6,7-tetraene is sourced from PubChem (CID 123824370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).