2-cyclohexyl-2H-furan-5-one

C10H14O2 — CID 10986612

IUPAC2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=CC(C2CCCCC2)O1
InChIInChI=1S/C10H14O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-9H,1-5H2
InChIKeyRKFMXRPKHIDKTO-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds1

About 2-cyclohexyl-2H-furan-5-one

2-cyclohexyl-2H-furan-5-one (PubChem CID 10986612) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclohexyl-2H-furan-5-one.

Molecular Properties

Compound Name2-cyclohexyl-2H-furan-5-one
PubChem CID10986612
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=CC(C2CCCCC2)O1
InChIInChI=1S/C10H14O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-9H,1-5H2
InChIKeyRKFMXRPKHIDKTO-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2H-furan-5-one?
The IUPAC name of 2-cyclohexyl-2H-furan-5-one (CID 10986612) is 2-cyclohexyl-2H-furan-5-one.
What is the SMILES notation for 2-cyclohexyl-2H-furan-5-one?
The canonical SMILES for 2-cyclohexyl-2H-furan-5-one is O=C1C=CC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-2H-furan-5-one?
The InChIKey is RKFMXRPKHIDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-9H,1-5H2.
What are the key properties of 2-cyclohexyl-2H-furan-5-one?
2-cyclohexyl-2H-furan-5-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2H-furan-5-one is sourced from PubChem (CID 10986612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).