2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one

C12H18O3 — CID 69135163

IUPAC2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1CC1CCCCC1
InChIInChI=1S/C12H18O3/c1-14-10-8-12(13)15-11(10)7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyZDNLDGXYKYETLT-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.41
Rot. Bonds3

About 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one

2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one (PubChem CID 69135163) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one
PubChem CID69135163
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1CC1CCCCC1
InChIInChI=1S/C12H18O3/c1-14-10-8-12(13)15-11(10)7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyZDNLDGXYKYETLT-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one (CID 69135163) is 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one?
The InChIKey is ZDNLDGXYKYETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-14-10-8-12(13)15-11(10)7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one?
2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one has a molecular weight of 210.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 69135163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).