ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate

C12H20O5 — CID 142318644

IUPACethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
SMILESCC.Cc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5.C2H6/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-2/h5H2,1-4H3;1-2H3
InChIKeySWIYZNAGTNUVTO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds2

About ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate

ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate (PubChem CID 142318644) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
PubChem CID142318644
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
SMILESCC.Cc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5.C2H6/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-2/h5H2,1-4H3;1-2H3
InChIKeySWIYZNAGTNUVTO-UHFFFAOYSA-N
XLogP2.66
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl butanoate
CID 15135437
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 21061601
4-Methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 21138960
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-methylbutanoate
CID 57886965
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
CID 57887012
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 3,3-dimethylbutanoate
CID 58102899
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 58344402
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
CID 58506363
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate
CID 59696766
CID 59853462
CID 59853462
CID 59956880
CID 59956880

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate (CID 142318644) is ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate is CC.Cc1oc(=O)oc1COC(=O)C(C)(C)C.
What is the InChIKey of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is SWIYZNAGTNUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C2H6/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-2/h5H2,1-4H3;1-2H3.
What are the key properties of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 142318644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).