2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene

C15H26O4 — CID 89062666

IUPAC2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene
SMILESCOC1=C(C)C(OC)CC(COC(C)OC(C)C)=C1
InChIInChI=1S/C15H26O4/c1-10(2)19-12(4)18-9-13-7-14(16-5)11(3)15(8-13)17-6/h7,10,12,15H,8-9H2,1-6H3
InChIKeyZJBFBTRVQOQKFO-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.04
Rot. Bonds7

About 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene

2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene (PubChem CID 89062666) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene
PubChem CID89062666
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene
SMILESCOC1=C(C)C(OC)CC(COC(C)OC(C)C)=C1
InChIInChI=1S/C15H26O4/c1-10(2)19-12(4)18-9-13-7-14(16-5)11(3)15(8-13)17-6/h7,10,12,15H,8-9H2,1-6H3
InChIKeyZJBFBTRVQOQKFO-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene (CID 89062666) is 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene is COC1=C(C)C(OC)CC(COC(C)OC(C)C)=C1.
What is the InChIKey of 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is ZJBFBTRVQOQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)19-12(4)18-9-13-7-14(16-5)11(3)15(8-13)17-6/h7,10,12,15H,8-9H2,1-6H3.
What are the key properties of 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene?
2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 270.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89062666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).