ethane;2-methyl-1,3-dioxolan-4-one

C6H12O3 — CID 144647860

IUPACethane;2-methyl-1,3-dioxolan-4-one
SMILESCC.CC1OCC(=O)O1
InChIInChI=1S/C4H6O3.C2H6/c1-3-6-2-4(5)7-3;1-2/h3H,2H2,1H3;1-2H3
InChIKeyVRPMFXTVJUSANX-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.93
Rot. Bonds

About ethane;2-methyl-1,3-dioxolan-4-one

ethane;2-methyl-1,3-dioxolan-4-one (PubChem CID 144647860) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethane;2-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Nameethane;2-methyl-1,3-dioxolan-4-one
PubChem CID144647860
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameethane;2-methyl-1,3-dioxolan-4-one
SMILESCC.CC1OCC(=O)O1
InChIInChI=1S/C4H6O3.C2H6/c1-3-6-2-4(5)7-3;1-2/h3H,2H2,1H3;1-2H3
InChIKeyVRPMFXTVJUSANX-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-1,3-dioxolan-4-one
CID 11819105
4-oxo-1,3-dioxolane-2-carboxylic acid
CID 71391998
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
2-methyl-6-(trideuteriomethyl)-1,3-dioxan-4-one
CID 165157557
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane
CID 156739027
(5S)-5-methyloxolane-2,4-dione
CID 67483929
(5R)-5-methyloxolane-2,4-dione
CID 130687098
5-methyloxolan-2-one
CID 69397003
ethane;(6S)-6-methylmorpholin-3-one
CID 144732959
(1R,9S,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane-3,7,16,20-tetrone
CID 13402502
2-methyl-1,3-oxazolidin-5-one
CID 19595572
(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-dioxolan-4-one?
The IUPAC name of ethane;2-methyl-1,3-dioxolan-4-one (CID 144647860) is ethane;2-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for ethane;2-methyl-1,3-dioxolan-4-one?
The canonical SMILES for ethane;2-methyl-1,3-dioxolan-4-one is CC.CC1OCC(=O)O1.
What is the InChIKey of ethane;2-methyl-1,3-dioxolan-4-one?
The InChIKey is VRPMFXTVJUSANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C2H6/c1-3-6-2-4(5)7-3;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-dioxolan-4-one?
ethane;2-methyl-1,3-dioxolan-4-one has a molecular weight of 132.16 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 144647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).