2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde

C8H12O2 — CID 23549514

IUPAC2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde
SMILESCC1=CCC(CC=O)OC1
InChIInChI=1S/C8H12O2/c1-7-2-3-8(4-5-9)10-6-7/h2,5,8H,3-4,6H2,1H3
InChIKeyZGPMXOCCMUKZHZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde

2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde (PubChem CID 23549514) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde
PubChem CID23549514
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde
SMILESCC1=CCC(CC=O)OC1
InChIInChI=1S/C8H12O2/c1-7-2-3-8(4-5-9)10-6-7/h2,5,8H,3-4,6H2,1H3
InChIKeyZGPMXOCCMUKZHZ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde (CID 23549514) is 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde is CC1=CCC(CC=O)OC1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde?
The InChIKey is ZGPMXOCCMUKZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-2-3-8(4-5-9)10-6-7/h2,5,8H,3-4,6H2,1H3.
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde?
2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde is sourced from PubChem (CID 23549514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).