3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one

C10H13ClO2 — CID 25139262

IUPAC3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(C=C1CCl)CCCCC2
InChIInChI=1S/C10H13ClO2/c11-7-8-6-10(13-9(8)12)4-2-1-3-5-10/h6H,1-5,7H2
InChIKeyJVUXXBIBWMFDDN-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.41
Rot. Bonds1

About 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one

3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 25139262) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID25139262
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(C=C1CCl)CCCCC2
InChIInChI=1S/C10H13ClO2/c11-7-8-6-10(13-9(8)12)4-2-1-3-5-10/h6H,1-5,7H2
InChIKeyJVUXXBIBWMFDDN-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.41
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

3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
3-(Chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 139090875
CID 176901712
CID 176901712
3-(Deuteriomethyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10877508
4-Deuterio-3-(deuteriomethyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10975877
4-Deuterio-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 11008295
5-(3-Chloropropyl)-3,5-dimethylfuran-2-one
CID 11030584
5-(3-Chloropropyl)-4,5-dimethylfuran-2-one
CID 11116811
4-Chloro-1-oxaspiro[4.5]dec-3-en-2-one
CID 12321050
3-(Chloromethyl)-1-oxaspiro[4.4]non-3-en-2-one
CID 25138958
4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one
CID 25139117

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 25139262) is 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1OC2(C=C1CCl)CCCCC2.
What is the InChIKey of 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is JVUXXBIBWMFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c11-7-8-6-10(13-9(8)12)4-2-1-3-5-10/h6H,1-5,7H2.
What are the key properties of 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 200.66 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 25139262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).