2-(3,6-dihydro-2H-pyran-4-yl)propanal

C8H12O2 — CID 91285053

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)propanal
SMILESCC(C=O)C1=CCOCC1
InChIInChI=1S/C8H12O2/c1-7(6-9)8-2-4-10-5-3-8/h2,6-7H,3-5H2,1H3
InChIKeyBBLFEDHTHFWWQR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)propanal

2-(3,6-dihydro-2H-pyran-4-yl)propanal (PubChem CID 91285053) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)propanal.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)propanal
PubChem CID91285053
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)propanal
SMILESCC(C=O)C1=CCOCC1
InChIInChI=1S/C8H12O2/c1-7(6-9)8-2-4-10-5-3-8/h2,6-7H,3-5H2,1H3
InChIKeyBBLFEDHTHFWWQR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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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Related Compounds

2-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-propionaldehyde
CID 86640447
ethyl 2-(3,6-dihydro-2H-pyran-4-yl)propanoate
CID 140089132
3,4,5,8-tetrahydro-1H-isochromene-5,8-dicarbaldehyde
CID 173361220
2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
CID 101338935
2-[(4Z)-4-ethylideneoxolan-3-yl]acetaldehyde
CID 133666944
CID 177468382
CID 177468382

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)propanal?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)propanal (CID 91285053) is 2-(3,6-dihydro-2H-pyran-4-yl)propanal.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)propanal?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)propanal is CC(C=O)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)propanal?
The InChIKey is BBLFEDHTHFWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(6-9)8-2-4-10-5-3-8/h2,6-7H,3-5H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)propanal?
2-(3,6-dihydro-2H-pyran-4-yl)propanal has a molecular weight of 140.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)propanal is sourced from PubChem (CID 91285053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).