1-[(2R)-oxolan-2-yl]propan-2-one

C7H12O2 — CID 12812293

IUPAC1-[(2R)-oxolan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCCO1
InChIInChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyLHYVBWMBMGJLLI-SSDOTTSWSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds2

About 1-[(2R)-oxolan-2-yl]propan-2-one

1-[(2R)-oxolan-2-yl]propan-2-one (PubChem CID 12812293) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-[(2R)-oxolan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R)-oxolan-2-yl]propan-2-one
PubChem CID12812293
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-[(2R)-oxolan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCCO1
InChIInChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyLHYVBWMBMGJLLI-SSDOTTSWSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
4-oxopentyl 2-(oxolan-2-yl)acetate
CID 78875192
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
1-(1,3-dioxan-2-yl)propan-2-one
CID 12688984
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
1-methylsulfonyl-3-(oxolan-2-yl)propan-2-one
CID 114998406

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxolan-2-yl]propan-2-one?
The IUPAC name of 1-[(2R)-oxolan-2-yl]propan-2-one (CID 12812293) is 1-[(2R)-oxolan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R)-oxolan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R)-oxolan-2-yl]propan-2-one is CC(=O)C[C@H]1CCCO1.
What is the InChIKey of 1-[(2R)-oxolan-2-yl]propan-2-one?
The InChIKey is LHYVBWMBMGJLLI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-oxolan-2-yl]propan-2-one?
1-[(2R)-oxolan-2-yl]propan-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxolan-2-yl]propan-2-one is sourced from PubChem (CID 12812293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).