1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one

C10H16O2 — CID 12610586

IUPAC1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1OC=C[C@H]1C(C)C
InChIInChI=1S/C10H16O2/c1-4-9(11)10-8(7(2)3)5-6-12-10/h5-8,10H,4H2,1-3H3/t8-,10+/m0/s1
InChIKeyGBYRWUYSOCRCLU-WCBMZHEXSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

About 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one

1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one (PubChem CID 12610586) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one
PubChem CID12610586
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1OC=C[C@H]1C(C)C
InChIInChI=1S/C10H16O2/c1-4-9(11)10-8(7(2)3)5-6-12-10/h5-8,10H,4H2,1-3H3/t8-,10+/m0/s1
InChIKeyGBYRWUYSOCRCLU-WCBMZHEXSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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
Ethanone, 1-[2,3-dihydro-3-(1-methylethyl)-2-furanyl]-
CID 12501909
1-(3-Tert-butyl-2,3-dihydrofuran-2-yl)ethanone
CID 12501911
3-Methoxy-2-methyloct-7-en-4-one
CID 116708318

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one?
The IUPAC name of 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one (CID 12610586) is 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one is CCC(=O)[C@@H]1OC=C[C@H]1C(C)C.
What is the InChIKey of 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one?
The InChIKey is GBYRWUYSOCRCLU-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9(11)10-8(7(2)3)5-6-12-10/h5-8,10H,4H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one?
1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-propan-2-yl-2,3-dihydrofuran-2-yl]propan-1-one is sourced from PubChem (CID 12610586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).