(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane

C14H26O4 — CID 144704866

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
SMILESCC.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C
InChIInChI=1S/C12H20O4.C2H6/c1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-2/h8H,6-7H2,1-5H3;1-2H3
InChIKeyUZRRFTGMENUYJP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.94
Rot. Bonds3

About (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane (PubChem CID 144704866) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
PubChem CID144704866
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
SMILESCC.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C
InChIInChI=1S/C12H20O4.C2H6/c1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-2/h8H,6-7H2,1-5H3;1-2H3
InChIKeyUZRRFTGMENUYJP-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate
CID 20686217
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-bromo-3,3-dimethylbutanoate
CID 11109577
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2-methylbutanoate;(5-methyl-2-oxooxolan-3-yl) 2-methylbutanoate
CID 158714532
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methoxy-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate
CID 161184666
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
CID 159762069
(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;methane;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate
CID 160580159
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (Z)-2-bromohex-3-enoate
CID 134988547
(4-chloro-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 20627264
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-bromo-3-methylbutanoate
CID 15517932
(4,4-dimethyl-2-oxooxolan-3-yl) 5-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 70888183
(4-isocyano-4-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 59815529
(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate
CID 170264942

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane (CID 144704866) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane is CC.CCC(C)(C)C(=O)OC1C(=O)OCC1(C)C.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane?
The InChIKey is UZRRFTGMENUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C2H6/c1-6-11(2,3)10(14)16-8-9(13)15-7-12(8,4)5;1-2/h8H,6-7H2,1-5H3;1-2H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane?
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane has a molecular weight of 258.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane is sourced from PubChem (CID 144704866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).