3-(4-methoxycyclohexyl)-3H-furan-2-one

C11H16O3 — CID 67356003

IUPAC3-(4-methoxycyclohexyl)-3H-furan-2-one
SMILESCOC1CCC(C2C=COC2=O)CC1
InChIInChI=1S/C11H16O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h6-10H,2-5H2,1H3
InChIKeyXBOUUEHDTXMCJW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.88
Rot. Bonds2

About 3-(4-methoxycyclohexyl)-3H-furan-2-one

3-(4-methoxycyclohexyl)-3H-furan-2-one (PubChem CID 67356003) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)-3H-furan-2-one.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)-3H-furan-2-one
PubChem CID67356003
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-(4-methoxycyclohexyl)-3H-furan-2-one
SMILESCOC1CCC(C2C=COC2=O)CC1
InChIInChI=1S/C11H16O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h6-10H,2-5H2,1H3
InChIKeyXBOUUEHDTXMCJW-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexyl)-3H-furan-2-one?
The IUPAC name of 3-(4-methoxycyclohexyl)-3H-furan-2-one (CID 67356003) is 3-(4-methoxycyclohexyl)-3H-furan-2-one.
What is the SMILES notation for 3-(4-methoxycyclohexyl)-3H-furan-2-one?
The canonical SMILES for 3-(4-methoxycyclohexyl)-3H-furan-2-one is COC1CCC(C2C=COC2=O)CC1.
What is the InChIKey of 3-(4-methoxycyclohexyl)-3H-furan-2-one?
The InChIKey is XBOUUEHDTXMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h6-10H,2-5H2,1H3.
What are the key properties of 3-(4-methoxycyclohexyl)-3H-furan-2-one?
3-(4-methoxycyclohexyl)-3H-furan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexyl)-3H-furan-2-one is sourced from PubChem (CID 67356003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).