2-propan-2-yl-1,3-dioxolan-4-one

C6H10O3 — CID 11819105

IUPAC2-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)C1OCC(=O)O1
InChIInChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3
InChIKeyMZCOEPMHXQPZFF-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.54
Rot. Bonds1

About 2-propan-2-yl-1,3-dioxolan-4-one

2-propan-2-yl-1,3-dioxolan-4-one (PubChem CID 11819105) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dioxolan-4-one
PubChem CID11819105
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)C1OCC(=O)O1
InChIInChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3
InChIKeyMZCOEPMHXQPZFF-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-1,3-dioxolan-4-one
CID 144647860
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
4-oxo-1,3-dioxolane-2-carboxylic acid
CID 71391998
(4S,6R)-4,6-di(propan-2-yl)-1,3-dioxan-2-one
CID 59787451
4-(4-propan-2-ylcyclohexyl)oxetan-2-one
CID 143582877
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
CID 73236280
(4S,5R)-4-methoxy-5-propan-2-yloxolan-3-one
CID 15317598
5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
CID 75984396
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
4-propan-2-yloxolan-2-one
CID 10997052
ethane;3-propan-2-yloxolane-2,4-dione
CID 169243997

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-dioxolan-4-one?
The IUPAC name of 2-propan-2-yl-1,3-dioxolan-4-one (CID 11819105) is 2-propan-2-yl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-propan-2-yl-1,3-dioxolan-4-one?
The canonical SMILES for 2-propan-2-yl-1,3-dioxolan-4-one is CC(C)C1OCC(=O)O1.
What is the InChIKey of 2-propan-2-yl-1,3-dioxolan-4-one?
The InChIKey is MZCOEPMHXQPZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)6-8-3-5(7)9-6/h4,6H,3H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-dioxolan-4-one?
2-propan-2-yl-1,3-dioxolan-4-one has a molecular weight of 130.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 11819105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).