1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone

C9H14O2 — CID 12501909

IUPAC1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone
SMILESCC(=O)C1OC=CC1C(C)C
InChIInChI=1S/C9H14O2/c1-6(2)8-4-5-11-9(8)7(3)10/h4-6,8-9H,1-3H3
InChIKeyHNEJWWBGAHXTBU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds2

About 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone

1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone (PubChem CID 12501909) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone
PubChem CID12501909
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone
SMILESCC(=O)C1OC=CC1C(C)C
InChIInChI=1S/C9H14O2/c1-6(2)8-4-5-11-9(8)7(3)10/h4-6,8-9H,1-3H3
InChIKeyHNEJWWBGAHXTBU-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone (CID 12501909) is 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone is CC(=O)C1OC=CC1C(C)C.
What is the InChIKey of 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone?
The InChIKey is HNEJWWBGAHXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)8-4-5-11-9(8)7(3)10/h4-6,8-9H,1-3H3.
What are the key properties of 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone?
1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-2,3-dihydrofuran-2-yl)ethanone is sourced from PubChem (CID 12501909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).