1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone

C11H18O2 — CID 15314373

IUPAC1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone
SMILESCCCC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C11H18O2/c1-5-6-11(4)7-10(8(2)12)9(3)13-11/h5-7H2,1-4H3
InChIKeyIUWFYMMBECVJQK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone

1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone (PubChem CID 15314373) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone
PubChem CID15314373
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone
SMILESCCCC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C11H18O2/c1-5-6-11(4)7-10(8(2)12)9(3)13-11/h5-7H2,1-4H3
InChIKeyIUWFYMMBECVJQK-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone (CID 15314373) is 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone is CCCC1(C)CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone?
The InChIKey is IUWFYMMBECVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-6-11(4)7-10(8(2)12)9(3)13-11/h5-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone?
1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 15314373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).