dipropan-2-yl 2-propan-2-yloxybutanedioate

C13H24O5 — CID 86017423

IUPACdipropan-2-yl 2-propan-2-yloxybutanedioate
SMILESCC(C)OC(=O)CC(OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C13H24O5/c1-8(2)16-11(13(15)18-10(5)6)7-12(14)17-9(3)4/h8-11H,7H2,1-6H3
InChIKeyJQKBUFUFKSQENX-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds7

About dipropan-2-yl 2-propan-2-yloxybutanedioate

dipropan-2-yl 2-propan-2-yloxybutanedioate (PubChem CID 86017423) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is dipropan-2-yl 2-propan-2-yloxybutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-propan-2-yloxybutanedioate
PubChem CID86017423
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Namedipropan-2-yl 2-propan-2-yloxybutanedioate
SMILESCC(C)OC(=O)CC(OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C13H24O5/c1-8(2)16-11(13(15)18-10(5)6)7-12(14)17-9(3)4/h8-11H,7H2,1-6H3
InChIKeyJQKBUFUFKSQENX-UHFFFAOYSA-N
XLogP2.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Butyl Butyryllactate
CID 24114
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
2-Ethoxy-1-methyl-2-oxoethyl butyrate
CID 9815474
(+)-Diacetyl-L-tartaric anhydride
CID 513914
Diisopropyl tartrate
CID 6453580
18-Crown-6 2,3,11,12-tetracarboxylic acid
CID 3082976
(+)-Dibutyl tartrate
CID 6910
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Diethyl oxirane-2,3-dicarboxylate
CID 12567702
2,3-diethyl (2R,3R)-oxirane-2,3-dicarboxylate
CID 2733646
Dibutyl L-tartrate
CID 220014
Succinic acid, 2,3-diethoxy-, diethyl ester
CID 96236

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-propan-2-yloxybutanedioate?
The IUPAC name of dipropan-2-yl 2-propan-2-yloxybutanedioate (CID 86017423) is dipropan-2-yl 2-propan-2-yloxybutanedioate.
What is the SMILES notation for dipropan-2-yl 2-propan-2-yloxybutanedioate?
The canonical SMILES for dipropan-2-yl 2-propan-2-yloxybutanedioate is CC(C)OC(=O)CC(OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-propan-2-yloxybutanedioate?
The InChIKey is JQKBUFUFKSQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-8(2)16-11(13(15)18-10(5)6)7-12(14)17-9(3)4/h8-11H,7H2,1-6H3.
What are the key properties of dipropan-2-yl 2-propan-2-yloxybutanedioate?
dipropan-2-yl 2-propan-2-yloxybutanedioate has a molecular weight of 260.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-propan-2-yloxybutanedioate is sourced from PubChem (CID 86017423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).