3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one

C16H20O2 — CID 15709656

IUPAC3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one
SMILESO=C1OC(=C2CCCCC2)C=C1C1=CCCCC1
InChIInChI=1S/C16H20O2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h7,11H,1-6,8-10H2
InChIKeyUPFWBDNURKUNFH-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.19
Rot. Bonds1

About 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one

3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one (PubChem CID 15709656) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one
PubChem CID15709656
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one
SMILESO=C1OC(=C2CCCCC2)C=C1C1=CCCCC1
InChIInChI=1S/C16H20O2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h7,11H,1-6,8-10H2
InChIKeyUPFWBDNURKUNFH-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one?
The IUPAC name of 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one (CID 15709656) is 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one is O=C1OC(=C2CCCCC2)C=C1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one?
The InChIKey is UPFWBDNURKUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h7,11H,1-6,8-10H2.
What are the key properties of 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one?
3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one has a molecular weight of 244.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one is sourced from PubChem (CID 15709656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).