(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate

C14H24O4 — CID 146917504

IUPAC(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC1CCOC1=O
InChIInChI=1S/C14H24O4/c1-6-14(5,9-13(2,3)4)12(16)18-10-7-8-17-11(10)15/h10H,6-9H2,1-5H3
InChIKeyACNFDIYUHWXFOG-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate

(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate (PubChem CID 146917504) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate
PubChem CID146917504
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC1CCOC1=O
InChIInChI=1S/C14H24O4/c1-6-14(5,9-13(2,3)4)12(16)18-10-7-8-17-11(10)15/h10H,6-9H2,1-5H3
InChIKeyACNFDIYUHWXFOG-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxooxolan-3-yl) 2-(aminomethyl)-2,4,4-trimethylpentanoate
CID 134267853
(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-2-ethylbutanoate
CID 20686246
2-ethyl-2,4,6,6-tetramethyl-7-oxo-4-(2-oxooxolan-3-yl)oxycarbonyl-7-pentoxyheptanoic acid
CID 59893054
1-O-(2-oxooxolan-3-yl) 7-O-(2,2,2-trifluoroethyl) 2-ethyl-2,6-dimethylheptanedioate
CID 91544709
(2-oxooxan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59502978
3-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
CID 138466131
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580
1,4-dioxan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158325224
(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate
CID 163604327
[(3R)-2-oxooxolan-3-yl] 2-ethoxy-2,2-diphenylacetate
CID 7683863
(2-oxooxolan-3-yl) 3-(2,2-dimethylbutanoyloxy)-2-oxooxane-4-carboxylate
CID 155764572
2,4,6-trimethyl-6-[(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)oxycarbonyl]-4-(2-oxooxolan-3-yl)oxycarbonyloctanoic acid
CID 59049048

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate (CID 146917504) is (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate is CCC(C)(CC(C)(C)C)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate?
The InChIKey is ACNFDIYUHWXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-14(5,9-13(2,3)4)12(16)18-10-7-8-17-11(10)15/h10H,6-9H2,1-5H3.
What are the key properties of (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate?
(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 146917504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).