1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane

C14H26O2 — CID 142112350

IUPAC1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane
SMILESCC.CCCC1=CCC(C)(OC)C(OC)=C1
InChIInChI=1S/C12H20O2.C2H6/c1-5-6-10-7-8-12(2,14-4)11(9-10)13-3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3
InChIKeyYFFZLOKRQRLHOD-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds4

About 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane

1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane (PubChem CID 142112350) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane
PubChem CID142112350
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane
SMILESCC.CCCC1=CCC(C)(OC)C(OC)=C1
InChIInChI=1S/C12H20O2.C2H6/c1-5-6-10-7-8-12(2,14-4)11(9-10)13-3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3
InChIKeyYFFZLOKRQRLHOD-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane 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 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane (CID 142112350) is 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane is CC.CCCC1=CCC(C)(OC)C(OC)=C1.
What is the InChIKey of 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane?
The InChIKey is YFFZLOKRQRLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C2H6/c1-5-6-10-7-8-12(2,14-4)11(9-10)13-3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3.
What are the key properties of 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane?
1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane has a molecular weight of 226.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-6-methyl-3-propylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 142112350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).