1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone

C10H16O2 — CID 12501911

IUPAC1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone
SMILESCC(=O)C1OC=CC1C(C)(C)C
InChIInChI=1S/C10H16O2/c1-7(11)9-8(5-6-12-9)10(2,3)4/h5-6,8-9H,1-4H3
InChIKeyPFPNEAUYVCMSQB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds1

About 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone

1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone (PubChem CID 12501911) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone
PubChem CID12501911
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone
SMILESCC(=O)C1OC=CC1C(C)(C)C
InChIInChI=1S/C10H16O2/c1-7(11)9-8(5-6-12-9)10(2,3)4/h5-6,8-9H,1-4H3
InChIKeyPFPNEAUYVCMSQB-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetyl-4-methyl-3,4-dihydropyran
CID 134158646
1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone
CID 59138386
2-(2-Methylpropyl)furan-3-one
CID 139707457
2-(2,2-Dimethylpropanoyl)furan-3-one
CID 141165299
1-(2,3,3,4-Tetramethylfuran-2-yl)ethanone
CID 152216133
3-Tert-butyl-2,3-dihydrofuran-2-carbaldehyde
CID 12374799
(2R,3S)-3-tert-butyl-2,3-dihydrofuran-2-carbaldehyde
CID 12374800
Ethanone, 1-[2,3-dihydro-3-(1-methylethyl)-2-furanyl]-
CID 12501909
1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one
CID 12610586
1-[(1R,5S)-6,6-dimethyl-2-oxabicyclo[3.2.0]hept-3-en-1-yl]ethanone
CID 130891464

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone (CID 12501911) is 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone is CC(=O)C1OC=CC1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone?
The InChIKey is PFPNEAUYVCMSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)9-8(5-6-12-9)10(2,3)4/h5-6,8-9H,1-4H3.
What are the key properties of 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone?
1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2,3-dihydrofuran-2-yl)ethanone is sourced from PubChem (CID 12501911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).