2-(chloromethyl)-2,3-dihydropyran-6-one

C6H7ClO2 — CID 20619126

IUPAC2-(chloromethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CCl)O1
InChIInChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2
InChIKeyNVMBKTXDBXNDQK-UHFFFAOYSA-N
MW146.57 g/mol
LogP1.10
Rot. Bonds1

About 2-(chloromethyl)-2,3-dihydropyran-6-one

2-(chloromethyl)-2,3-dihydropyran-6-one (PubChem CID 20619126) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is 2-(chloromethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(chloromethyl)-2,3-dihydropyran-6-one
PubChem CID20619126
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name2-(chloromethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CCl)O1
InChIInChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2
InChIKeyNVMBKTXDBXNDQK-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(chloromethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(chloromethyl)-2,3-dihydropyran-6-one (CID 20619126) is 2-(chloromethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(chloromethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(chloromethyl)-2,3-dihydropyran-6-one is O=C1C=CCC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-2,3-dihydropyran-6-one?
The InChIKey is NVMBKTXDBXNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2.
What are the key properties of 2-(chloromethyl)-2,3-dihydropyran-6-one?
2-(chloromethyl)-2,3-dihydropyran-6-one has a molecular weight of 146.57 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 20619126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).