1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone

C11H18O2 — CID 14932548

IUPAC1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone
SMILESCC[C@H]1C(C(C)=O)=C(C)OC1(C)C
InChIInChI=1S/C11H18O2/c1-6-9-10(7(2)12)8(3)13-11(9,4)5/h9H,6H2,1-5H3/t9-/m0/s1
InChIKeyWMGUGFILCNOYPR-VIFPVBQESA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone

1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone (PubChem CID 14932548) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone
PubChem CID14932548
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone
SMILESCC[C@H]1C(C(C)=O)=C(C)OC1(C)C
InChIInChI=1S/C11H18O2/c1-6-9-10(7(2)12)8(3)13-11(9,4)5/h9H,6H2,1-5H3/t9-/m0/s1
InChIKeyWMGUGFILCNOYPR-VIFPVBQESA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone (CID 14932548) is 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone is CC[C@H]1C(C(C)=O)=C(C)OC1(C)C.
What is the InChIKey of 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The InChIKey is WMGUGFILCNOYPR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-6-9-10(7(2)12)8(3)13-11(9,4)5/h9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 14932548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).