4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol

C11H16O3 — CID 68661255

IUPAC4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol
SMILESCC=CC1(OC)C=C(OC)C(O)=CC1
InChIInChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-6,8,12H,7H2,1-3H3
InChIKeyYLYBZKUKXNKIRJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.32
Rot. Bonds3

About 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol

4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol (PubChem CID 68661255) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol
PubChem CID68661255
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol
SMILESCC=CC1(OC)C=C(OC)C(O)=CC1
InChIInChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-6,8,12H,7H2,1-3H3
InChIKeyYLYBZKUKXNKIRJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol (CID 68661255) is 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol is CC=CC1(OC)C=C(OC)C(O)=CC1.
What is the InChIKey of 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol?
The InChIKey is YLYBZKUKXNKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol?
4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-4-prop-1-enylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 68661255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).