4-chloro-6-methyl-3,4-dihydro-2H-pyran

C6H9ClO — CID 142810358

IUPAC4-chloro-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(Cl)CCO1
InChIInChI=1S/C6H9ClO/c1-5-4-6(7)2-3-8-5/h4,6H,2-3H2,1H3
InChIKeyJYMWWXPSAXQWOA-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-6-methyl-3,4-dihydro-2H-pyran

4-chloro-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 142810358) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 4-chloro-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-chloro-6-methyl-3,4-dihydro-2H-pyran
PubChem CID142810358
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name4-chloro-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(Cl)CCO1
InChIInChI=1S/C6H9ClO/c1-5-4-6(7)2-3-8-5/h4,6H,2-3H2,1H3
InChIKeyJYMWWXPSAXQWOA-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 4-chloro-6-methyl-3,4-dihydro-2H-pyran (CID 142810358) is 4-chloro-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-chloro-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-chloro-6-methyl-3,4-dihydro-2H-pyran is CC1=CC(Cl)CCO1.
What is the InChIKey of 4-chloro-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is JYMWWXPSAXQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-5-4-6(7)2-3-8-5/h4,6H,2-3H2,1H3.
What are the key properties of 4-chloro-6-methyl-3,4-dihydro-2H-pyran?
4-chloro-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 132.59 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 142810358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).