pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

C14H26O5 — CID 91691726

IUPACpentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OC(C)CCC
InChIInChI=1S/C14H26O5/c1-5-7-11(3)18-13(15)9-17-10-14(16)19-12(4)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyAYXISPFARYYDAT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.47
Rot. Bonds10

About pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (PubChem CID 91691726) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.

Molecular Properties

Compound Namepentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
PubChem CID91691726
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namepentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OC(C)CCC
InChIInChI=1S/C14H26O5/c1-5-7-11(3)18-13(15)9-17-10-14(16)19-12(4)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyAYXISPFARYYDAT-UHFFFAOYSA-N
XLogP2.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91709862
undecyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91714814
2-methylpropyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91693507
4-O-(3-methylbutan-2-yl) 1-O-pentan-2-yl butanedioate
CID 91701929
pentan-2-yl tetradecanoate
CID 18676710
pentan-2-yl octadecanoate
CID 22644362
azane;pentan-2-yl acetate
CID 174372937
4-O-decan-2-yl 1-O-pentan-2-yl butanedioate
CID 91702306
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
pentan-2-yl 4-(methylamino)butanoate
CID 102982621
pentan-2-yl 6-aminohexanoate
CID 102982561
3-O-(1,3-dihydroxypropyl) 1-O-pentan-2-yl propanedioate
CID 175603120

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The IUPAC name of pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (CID 91691726) is pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.
What is the SMILES notation for pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The canonical SMILES for pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is CCCC(C)OC(=O)COCC(=O)OC(C)CCC.
What is the InChIKey of pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The InChIKey is AYXISPFARYYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-7-11(3)18-13(15)9-17-10-14(16)19-12(4)8-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate has a molecular weight of 274.36 g/mol, XLogP of 2.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is sourced from PubChem (CID 91691726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).