4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one

C11H15ClO2 — CID 25139117

IUPAC4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one
SMILESO=C1OC(C2CCCCC2)C=C1CCl
InChIInChI=1S/C11H15ClO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h6,8,10H,1-5,7H2
InChIKeyPANCTZMGLNJBNA-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.66
Rot. Bonds2

About 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one

4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one (PubChem CID 25139117) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one
PubChem CID25139117
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one
SMILESO=C1OC(C2CCCCC2)C=C1CCl
InChIInChI=1S/C11H15ClO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h6,8,10H,1-5,7H2
InChIKeyPANCTZMGLNJBNA-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.66
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

2-cyclohexyl-2H-furan-5-one
CID 10986612
(2S)-2-cyclohexyl-2H-furan-5-one
CID 11805125
3-(Chloromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 25139262
3-chloro-2-cyclohexyl-2H-furan-5-one
CID 10726733
(1-Cyclohexyl-3-methylbut-2-enyl) 2-methylprop-2-enoate
CID 170441004
2-cyclohexyl-4-methyl-2H-furan-5-one
CID 10773715
2(5H)-Furanone, 5-cyclohexyl-4-methyl-
CID 11217593
4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one
CID 11629748
(2R)-4-(chloromethyl)-2-octyl-2H-furan-5-one
CID 25138582
(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one
CID 25138806
(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one
CID 25138807
5-(Chloromethyl)-2-octyl-2,3-dihydropyran-6-one
CID 25139111

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one?
The IUPAC name of 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one (CID 25139117) is 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one.
What is the SMILES notation for 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one?
The canonical SMILES for 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one is O=C1OC(C2CCCCC2)C=C1CCl.
What is the InChIKey of 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one?
The InChIKey is PANCTZMGLNJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h6,8,10H,1-5,7H2.
What are the key properties of 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one?
4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one has a molecular weight of 214.69 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one is sourced from PubChem (CID 25139117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).