1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C7H12O3 — CID 11321006

IUPAC1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyVNEBKVJPKDAIIM-ZCFIWIBFSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds1

About 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11321006) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11321006
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyVNEBKVJPKDAIIM-ZCFIWIBFSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
(4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
CID 11105390
(R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 259712
2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
CID 110702
Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-
CID 188603
Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 539745
(R)-1-(2,2-Dimethyl-1,3-dioxolan-4-yl)propan-1-one
CID 9989487
2-Methoxy-2-methyldihydrofuran-3(2 h)-one
CID 10374489
2,3-o-(3-Pentylidene)-D-glyceraldehyde
CID 11789478
1-(2-Methyl-1,3-dioxolan-2-yl)ethan-1-one
CID 12382425
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanone
CID 13404274

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11321006) is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC(=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is VNEBKVJPKDAIIM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 144.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11321006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).