1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone

C12H20O2 — CID 14085445

IUPAC1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1C(C)C
InChIInChI=1S/C12H20O2/c1-7(2)11-10(8(3)13)9(4)14-12(11,5)6/h7,11H,1-6H3
InChIKeyGHKZCQGAYWAOOO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone

1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone (PubChem CID 14085445) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone
PubChem CID14085445
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1C(C)C
InChIInChI=1S/C12H20O2/c1-7(2)11-10(8(3)13)9(4)14-12(11,5)6/h7,11H,1-6H3
InChIKeyGHKZCQGAYWAOOO-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone (CID 14085445) is 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone is CC(=O)C1=C(C)OC(C)(C)C1C(C)C.
What is the InChIKey of 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone?
The InChIKey is GHKZCQGAYWAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)11-10(8(3)13)9(4)14-12(11,5)6/h7,11H,1-6H3.
What are the key properties of 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone?
1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 14085445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).