methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate

C13H20O4 — CID 69051812

IUPACmethyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1C=CC(OC)=CC1(OC)C(C)C
InChIInChI=1S/C13H20O4/c1-9(2)13(17-5)8-10(15-3)6-7-11(13)12(14)16-4/h6-9,11H,1-5H3
InChIKeyHCYPOGBZPNIRQQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.92
Rot. Bonds4

About methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate

methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 69051812) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
PubChem CID69051812
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namemethyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1C=CC(OC)=CC1(OC)C(C)C
InChIInChI=1S/C13H20O4/c1-9(2)13(17-5)8-10(15-3)6-7-11(13)12(14)16-4/h6-9,11H,1-5H3
InChIKeyHCYPOGBZPNIRQQ-UHFFFAOYSA-N
XLogP1.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate (CID 69051812) is methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate is COC(=O)C1C=CC(OC)=CC1(OC)C(C)C.
What is the InChIKey of methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is HCYPOGBZPNIRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(2)13(17-5)8-10(15-3)6-7-11(13)12(14)16-4/h6-9,11H,1-5H3.
What are the key properties of methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dimethoxy-6-propan-2-ylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 69051812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).