3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde

C8H12O2 — CID 59273585

IUPAC3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESCC1C=COC(C=O)C1C
InChIInChI=1S/C8H12O2/c1-6-3-4-10-8(5-9)7(6)2/h3-8H,1-2H3
InChIKeyDXAJLXDBCGBRNW-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde

3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 59273585) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde
PubChem CID59273585
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESCC1C=COC(C=O)C1C
InChIInChI=1S/C8H12O2/c1-6-3-4-10-8(5-9)7(6)2/h3-8H,1-2H3
InChIKeyDXAJLXDBCGBRNW-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde (CID 59273585) is 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde is CC1C=COC(C=O)C1C.
What is the InChIKey of 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is DXAJLXDBCGBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-10-8(5-9)7(6)2/h3-8H,1-2H3.
What are the key properties of 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde?
3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 59273585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).