3-chloro-3,6-dihydro-2H-pyran

C5H7ClO — CID 20537275

IUPAC3-chloro-3,6-dihydro-2H-pyran
SMILESClC1C=CCOC1
InChIInChI=1S/C5H7ClO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2
InChIKeyMGQIJBJCGNNDST-UHFFFAOYSA-N
MW118.56 g/mol
LogP1.18
Rot. Bonds

About 3-chloro-3,6-dihydro-2H-pyran

3-chloro-3,6-dihydro-2H-pyran (PubChem CID 20537275) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is 3-chloro-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-chloro-3,6-dihydro-2H-pyran
PubChem CID20537275
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name3-chloro-3,6-dihydro-2H-pyran
SMILESClC1C=CCOC1
InChIInChI=1S/C5H7ClO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2
InChIKeyMGQIJBJCGNNDST-UHFFFAOYSA-N
XLogP1.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,6-dihydro-2H-pyran?
The IUPAC name of 3-chloro-3,6-dihydro-2H-pyran (CID 20537275) is 3-chloro-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-chloro-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-chloro-3,6-dihydro-2H-pyran is ClC1C=CCOC1.
What is the InChIKey of 3-chloro-3,6-dihydro-2H-pyran?
The InChIKey is MGQIJBJCGNNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2.
What are the key properties of 3-chloro-3,6-dihydro-2H-pyran?
3-chloro-3,6-dihydro-2H-pyran has a molecular weight of 118.56 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,6-dihydro-2H-pyran is sourced from PubChem (CID 20537275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).