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

C10H16O2 — CID 89496931

IUPAC3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran
SMILESC1=CCOCC1.C1=COCCC1
InChIInChI=1S/2C5H8O/c2*1-2-4-6-5-3-1/h2,4H,1,3,5H2;1-2H,3-5H2
InChIKeyYOMXAHRCWPEIIK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds

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

3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran (PubChem CID 89496931) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran
PubChem CID89496931
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran
SMILESC1=CCOCC1.C1=COCCC1
InChIInChI=1S/2C5H8O/c2*1-2-4-6-5-3-1/h2,4H,1,3,5H2;1-2H,3-5H2
InChIKeyYOMXAHRCWPEIIK-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran?
The IUPAC name of 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran (CID 89496931) is 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran.
What is the SMILES notation for 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran?
The canonical SMILES for 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran is C1=CCOCC1.C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran?
The InChIKey is YOMXAHRCWPEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O/c2*1-2-4-6-5-3-1/h2,4H,1,3,5H2;1-2H,3-5H2.
What are the key properties of 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran?
3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran has a molecular weight of 168.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran is sourced from PubChem (CID 89496931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).