(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate

C14H24O4 — CID 163604327

IUPAC(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate
SMILESCCCC(C)(C(=O)OC1CCOC1=O)C(C)CC
InChIInChI=1S/C14H24O4/c1-5-8-14(4,10(3)6-2)13(16)18-11-7-9-17-12(11)15/h10-11H,5-9H2,1-4H3
InChIKeyHALJUFNHZJKJGK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds6

About (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate

(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate (PubChem CID 163604327) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate
PubChem CID163604327
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate
SMILESCCCC(C)(C(=O)OC1CCOC1=O)C(C)CC
InChIInChI=1S/C14H24O4/c1-5-8-14(4,10(3)6-2)13(16)18-11-7-9-17-12(11)15/h10-11H,5-9H2,1-4H3
InChIKeyHALJUFNHZJKJGK-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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-ethyl-2,4,4-trimethylpentanoate
CID 146917504
(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-2-ethylbutanoate
CID 20686246
(2-oxooxolan-3-yl) 2,4-dimethylhexanoate
CID 123150141
(2-oxooxolan-3-yl) 2-(aminomethyl)-2,4,4-trimethylpentanoate
CID 134267853
1-O-(2-oxooxolan-3-yl) 7-O-(2,2,2-trifluoroethyl) 2-ethyl-2,6-dimethylheptanedioate
CID 91544709
3-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
CID 138466131
(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
CID 58225852
1,4-dioxan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158325224
4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)propan-2-ol;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 163561856
[(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-oxooxan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59502978

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate?
The IUPAC name of (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate (CID 163604327) is (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate is CCCC(C)(C(=O)OC1CCOC1=O)C(C)CC.
What is the InChIKey of (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate?
The InChIKey is HALJUFNHZJKJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-8-14(4,10(3)6-2)13(16)18-11-7-9-17-12(11)15/h10-11H,5-9H2,1-4H3.
What are the key properties of (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate?
(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate is sourced from PubChem (CID 163604327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).