2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde

C10H14O3 — CID 89275415

IUPAC2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=C(C=O)C(OC)CC(C)=C1
InChIInChI=1S/C10H14O3/c1-7-4-9(12-2)8(6-11)10(5-7)13-3/h4,6,10H,5H2,1-3H3
InChIKeyQQKIIDZYZJTQBT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds3

About 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde

2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 89275415) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID89275415
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=C(C=O)C(OC)CC(C)=C1
InChIInChI=1S/C10H14O3/c1-7-4-9(12-2)8(6-11)10(5-7)13-3/h4,6,10H,5H2,1-3H3
InChIKeyQQKIIDZYZJTQBT-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 89275415) is 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde is COC1=C(C=O)C(OC)CC(C)=C1.
What is the InChIKey of 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is QQKIIDZYZJTQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-4-9(12-2)8(6-11)10(5-7)13-3/h4,6,10H,5H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 89275415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).