2,2-dimethylchromene-6-carbaldehyde

C12H12O2 — CID 10877889

IUPAC2,2-dimethylchromene-6-carbaldehyde
SMILESCC1(C)C=Cc2cc(C=O)ccc2O1
InChIInChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3
InChIKeyZDSKIIMVDTYOLV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.68
Rot. Bonds1

About 2,2-dimethylchromene-6-carbaldehyde

2,2-dimethylchromene-6-carbaldehyde (PubChem CID 10877889) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,2-dimethylchromene-6-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethylchromene-6-carbaldehyde
PubChem CID10877889
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2,2-dimethylchromene-6-carbaldehyde
SMILESCC1(C)C=Cc2cc(C=O)ccc2O1
InChIInChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3
InChIKeyZDSKIIMVDTYOLV-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethylchromene-6-carbaldehyde 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 2,2-dimethylchromene-6-carbaldehyde?
The IUPAC name of 2,2-dimethylchromene-6-carbaldehyde (CID 10877889) is 2,2-dimethylchromene-6-carbaldehyde.
What is the SMILES notation for 2,2-dimethylchromene-6-carbaldehyde?
The canonical SMILES for 2,2-dimethylchromene-6-carbaldehyde is CC1(C)C=Cc2cc(C=O)ccc2O1.
What is the InChIKey of 2,2-dimethylchromene-6-carbaldehyde?
The InChIKey is ZDSKIIMVDTYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3.
What are the key properties of 2,2-dimethylchromene-6-carbaldehyde?
2,2-dimethylchromene-6-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylchromene-6-carbaldehyde is sourced from PubChem (CID 10877889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).