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

C6H7ClO2 — CID 11228874

IUPAC(2R)-2-(chloromethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](CCl)O1
InChIInChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2/t5-/m1/s1
InChIKeyNVMBKTXDBXNDQK-RXMQYKEDSA-N
MW146.57 g/mol
LogP1.10
Rot. Bonds1

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

(2R)-2-(chloromethyl)-2,3-dihydropyran-6-one (PubChem CID 11228874) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(chloromethyl)-2,3-dihydropyran-6-one
PubChem CID11228874
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(2R)-2-(chloromethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](CCl)O1
InChIInChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2/t5-/m1/s1
InChIKeyNVMBKTXDBXNDQK-RXMQYKEDSA-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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Related Compounds

(S)-6-Chloromethyl-5,6-dihydro-pyran-2-one
CID 11355554
6-Chloro-trans-2-hexenoic acid ethyl ester
CID 13591811
2(5H)-Furanone, 3,4-dichloro-5-(2-propenyl)-
CID 10104059
ethyl (E,4S,5R)-5-acetyloxy-4-chlorohex-2-enoate
CID 24881637
propan-2-yl (E)-5-chloropent-2-enoate
CID 13484269
2-(Chloromethyl)-2,3-dihydropyran-6-one
CID 20619126
3-chloro-3,4-dihydro-2H-oxepin-7-one
CID 23382772
Ethyl 6-chlorohex-2-enoate
CID 53396035
ethyl (E)-5-chloro-4-ethoxypent-2-enoate
CID 88490980
methyl (E)-5-chloro-4-methoxypent-2-enoate
CID 88491043
ethyl (E,5R)-6-chloro-5-hydroxyhex-2-enoate
CID 89771362
Ethyl 5-chloro-4-ethoxypent-2-enoate
CID 173365841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one (CID 11228874) is (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one is O=C1C=CC[C@H](CCl)O1.
What is the InChIKey of (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one?
The InChIKey is NVMBKTXDBXNDQK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2/t5-/m1/s1.
What are the key properties of (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one?
(2R)-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 (2R)-2-(chloromethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 11228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).