4,5-dimethylidenehepta-1,2,6-triene

C9H10 — CID 175499151

IUPAC4,5-dimethylidenehepta-1,2,6-triene
SMILESC=C=CC(=C)C(=C)C=C
InChIInChI=1S/C9H10/c1-5-7-9(4)8(3)6-2/h6-7H,1-4H2
InChIKeyPGOXCZGZAOWLFY-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.63
Rot. Bonds3

About 4,5-dimethylidenehepta-1,2,6-triene

4,5-dimethylidenehepta-1,2,6-triene (PubChem CID 175499151) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4,5-dimethylidenehepta-1,2,6-triene.

Molecular Properties

Compound Name4,5-dimethylidenehepta-1,2,6-triene
PubChem CID175499151
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name4,5-dimethylidenehepta-1,2,6-triene
SMILESC=C=CC(=C)C(=C)C=C
InChIInChI=1S/C9H10/c1-5-7-9(4)8(3)6-2/h6-7H,1-4H2
InChIKeyPGOXCZGZAOWLFY-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.63
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 4,5-dimethylidenehepta-1,2,6-triene?
The IUPAC name of 4,5-dimethylidenehepta-1,2,6-triene (CID 175499151) is 4,5-dimethylidenehepta-1,2,6-triene.
What is the SMILES notation for 4,5-dimethylidenehepta-1,2,6-triene?
The canonical SMILES for 4,5-dimethylidenehepta-1,2,6-triene is C=C=CC(=C)C(=C)C=C.
What is the InChIKey of 4,5-dimethylidenehepta-1,2,6-triene?
The InChIKey is PGOXCZGZAOWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-5-7-9(4)8(3)6-2/h6-7H,1-4H2.
What are the key properties of 4,5-dimethylidenehepta-1,2,6-triene?
4,5-dimethylidenehepta-1,2,6-triene has a molecular weight of 118.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidenehepta-1,2,6-triene is sourced from PubChem (CID 175499151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).