3,6-dihydro-2H-pyran-4-carbaldehyde

C6H8O2 — CID 13435928

IUPAC3,6-dihydro-2H-pyran-4-carbaldehyde
SMILESO=CC1=CCOCC1
InChIInChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1,5H,2-4H2
InChIKeyJVAWMZUJNSYUKK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.53
Rot. Bonds1

About 3,6-dihydro-2H-pyran-4-carbaldehyde

3,6-dihydro-2H-pyran-4-carbaldehyde (PubChem CID 13435928) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-carbaldehyde.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-carbaldehyde
PubChem CID13435928
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3,6-dihydro-2H-pyran-4-carbaldehyde
SMILESO=CC1=CCOCC1
InChIInChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1,5H,2-4H2
InChIKeyJVAWMZUJNSYUKK-UHFFFAOYSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dihydro-2H-pyran-3-carbaldehyde
CID 83423
Methyl 3,6-dihydro-2H-pyran-4-carboxylate
CID 37819200
4-(Methoxymethyl)-1,4-cyclo-hexadien-1-carboxaldehyde
CID 21546445
1-(3,6-Dihydro-2H-pyran-4-yl)ethan-1-one
CID 45085204
2H-Pyran-2-one, 3-ethyl-5,6-dihydro-
CID 11116066
(2-Oxooxolan-3-ylidene)acetaldehyde
CID 71398313
3,6-dihydro-2H-pyran-5-carbaldehyde;prop-2-enal
CID 158923100
(2Z)-2-(2-oxooxolan-3-ylidene)acetaldehyde
CID 89652576
(2E)-2-(oxolan-3-ylidene)acetaldehyde
CID 115011048
(2E,3E)-2-ethylidene-3-(methoxymethyl)hexa-3,5-dienal
CID 143085144

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-carbaldehyde?
The IUPAC name of 3,6-dihydro-2H-pyran-4-carbaldehyde (CID 13435928) is 3,6-dihydro-2H-pyran-4-carbaldehyde.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-carbaldehyde?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-carbaldehyde is O=CC1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-carbaldehyde?
The InChIKey is JVAWMZUJNSYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1,5H,2-4H2.
What are the key properties of 3,6-dihydro-2H-pyran-4-carbaldehyde?
3,6-dihydro-2H-pyran-4-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-carbaldehyde is sourced from PubChem (CID 13435928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).