2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one

C10H16O3 — CID 130927858

IUPAC2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
SMILESCC1(C)OCC(C2CCOC2)C1=O
InChIInChI=1S/C10H16O3/c1-10(2)9(11)8(6-13-10)7-3-4-12-5-7/h7-8H,3-6H2,1-2H3
InChIKeyOXWBITWEBVHKLS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.02
Rot. Bonds1

About 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one

2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one (PubChem CID 130927858) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
PubChem CID130927858
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
SMILESCC1(C)OCC(C2CCOC2)C1=O
InChIInChI=1S/C10H16O3/c1-10(2)9(11)8(6-13-10)7-3-4-12-5-7/h7-8H,3-6H2,1-2H3
InChIKeyOXWBITWEBVHKLS-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
CID 131123212
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
[(3S)-2,5-dioxo-3-(oxolan-3-yl)pyrrolidin-1-yl] hydrogen carbonate
CID 87110275
methyl (3R)-5,5-dimethyl-4-oxooxolane-3-carboxylate
CID 124563040
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one
CID 82744002
(3aS,6aR)-3,3-dimethyl-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-one
CID 71402225
(4aR,8aR)-4a,8a-dimethyl-3-(oxolan-3-yl)-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-one
CID 58046495
4-(2,2-difluoroethyl)-2,2-dimethyloxolan-3-one
CID 130706345

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one?
The IUPAC name of 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one (CID 130927858) is 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one?
The canonical SMILES for 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one is CC1(C)OCC(C2CCOC2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one?
The InChIKey is OXWBITWEBVHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2)9(11)8(6-13-10)7-3-4-12-5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one?
2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one is sourced from PubChem (CID 130927858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).