5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde

C14H18O3 — CID 142273224

IUPAC5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1c(C=O)cc(CC(C)(C)C)cc1C=O
InChIInChI=1S/C14H18O3/c1-14(2,3)7-10-5-11(8-15)13(17-4)12(6-10)9-16/h5-6,8-9H,7H2,1-4H3
InChIKeyAKTQGNDREJFAQV-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.91
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde

5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde (PubChem CID 142273224) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde
PubChem CID142273224
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1c(C=O)cc(CC(C)(C)C)cc1C=O
InChIInChI=1S/C14H18O3/c1-14(2,3)7-10-5-11(8-15)13(17-4)12(6-10)9-16/h5-6,8-9H,7H2,1-4H3
InChIKeyAKTQGNDREJFAQV-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde 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 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde (CID 142273224) is 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde is COc1c(C=O)cc(CC(C)(C)C)cc1C=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde?
The InChIKey is AKTQGNDREJFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,3)7-10-5-11(8-15)13(17-4)12(6-10)9-16/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde?
5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde has a molecular weight of 234.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-methoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 142273224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).