5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene

C11H16O2 — CID 3053286

IUPAC5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1=CC(OC)C(OC)C=C1
InChIInChI=1S/C11H16O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8,10-11H,1,5H2,2-3H3
InChIKeyLQSVMIMIFSSFGG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds4

About 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene

5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene (PubChem CID 3053286) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene
PubChem CID3053286
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1=CC(OC)C(OC)C=C1
InChIInChI=1S/C11H16O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8,10-11H,1,5H2,2-3H3
InChIKeyLQSVMIMIFSSFGG-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene (CID 3053286) is 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene is C=CCC1=CC(OC)C(OC)C=C1.
What is the InChIKey of 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene?
The InChIKey is LQSVMIMIFSSFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8,10-11H,1,5H2,2-3H3.
What are the key properties of 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene?
5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene has a molecular weight of 180.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 3053286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).