1,6-dimethylcyclodeca-1,3,7-triene

C12H18 — CID 91114782

IUPAC1,6-dimethylcyclodeca-1,3,7-triene
SMILESCC1=CC=CCC(C)C=CCC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyXRYOVRGVGBOAPK-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds

About 1,6-dimethylcyclodeca-1,3,7-triene

1,6-dimethylcyclodeca-1,3,7-triene (PubChem CID 91114782) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,6-dimethylcyclodeca-1,3,7-triene.

Molecular Properties

Compound Name1,6-dimethylcyclodeca-1,3,7-triene
PubChem CID91114782
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,6-dimethylcyclodeca-1,3,7-triene
SMILESCC1=CC=CCC(C)C=CCC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyXRYOVRGVGBOAPK-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
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 1,6-dimethylcyclodeca-1,3,7-triene?
The IUPAC name of 1,6-dimethylcyclodeca-1,3,7-triene (CID 91114782) is 1,6-dimethylcyclodeca-1,3,7-triene.
What is the SMILES notation for 1,6-dimethylcyclodeca-1,3,7-triene?
The canonical SMILES for 1,6-dimethylcyclodeca-1,3,7-triene is CC1=CC=CCC(C)C=CCC1.
What is the InChIKey of 1,6-dimethylcyclodeca-1,3,7-triene?
The InChIKey is XRYOVRGVGBOAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of 1,6-dimethylcyclodeca-1,3,7-triene?
1,6-dimethylcyclodeca-1,3,7-triene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylcyclodeca-1,3,7-triene is sourced from PubChem (CID 91114782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).