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

C7H10O2 — CID 22213848

IUPAC2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde
SMILESCC1OC=CCC1C=O
InChIInChI=1S/C7H10O2/c1-6-7(5-8)3-2-4-9-6/h2,4-7H,3H2,1H3
InChIKeyDGEGXQWXTLOQAT-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.12
Rot. Bonds1

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

2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde (PubChem CID 22213848) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde
PubChem CID22213848
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde
SMILESCC1OC=CCC1C=O
InChIInChI=1S/C7H10O2/c1-6-7(5-8)3-2-4-9-6/h2,4-7H,3H2,1H3
InChIKeyDGEGXQWXTLOQAT-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.12
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 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde (CID 22213848) is 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde is CC1OC=CCC1C=O.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde?
The InChIKey is DGEGXQWXTLOQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-7(5-8)3-2-4-9-6/h2,4-7H,3H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde?
2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-pyran-3-carbaldehyde is sourced from PubChem (CID 22213848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).