dipropyl 2-hydroxypentanedioate

C11H20O5 — CID 141161532

IUPACdipropyl 2-hydroxypentanedioate
SMILESCCCOC(=O)CCC(O)C(=O)OCCC
InChIInChI=1S/C11H20O5/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h9,12H,3-8H2,1-2H3
InChIKeyQNVUHEODBZVAGW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds8

About dipropyl 2-hydroxypentanedioate

dipropyl 2-hydroxypentanedioate (PubChem CID 141161532) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is dipropyl 2-hydroxypentanedioate.

Molecular Properties

Compound Namedipropyl 2-hydroxypentanedioate
PubChem CID141161532
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namedipropyl 2-hydroxypentanedioate
SMILESCCCOC(=O)CCC(O)C(=O)OCCC
InChIInChI=1S/C11H20O5/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h9,12H,3-8H2,1-2H3
InChIKeyQNVUHEODBZVAGW-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
5-butoxy-2-hydroxy-5-oxopentanoic acid
CID 174935037
propyl 4-bromo-2-hydroxybutanoate
CID 54121081
CID 175808043
CID 175808043
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
methane;propyl butanoate
CID 157187060
propyl 4-cyclopentyl-4-hydroxybutanoate
CID 62071388
propyl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321766
dipropyl 4,7-dioxodecanedioate
CID 174356334
propyl 3-hydroxypropanoate
CID 12778693
propyl 3-hydroxyhexanoate
CID 14915819
dipropyl 2-methylnonadecanedioate
CID 87117372

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-hydroxypentanedioate?
The IUPAC name of dipropyl 2-hydroxypentanedioate (CID 141161532) is dipropyl 2-hydroxypentanedioate.
What is the SMILES notation for dipropyl 2-hydroxypentanedioate?
The canonical SMILES for dipropyl 2-hydroxypentanedioate is CCCOC(=O)CCC(O)C(=O)OCCC.
What is the InChIKey of dipropyl 2-hydroxypentanedioate?
The InChIKey is QNVUHEODBZVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h9,12H,3-8H2,1-2H3.
What are the key properties of dipropyl 2-hydroxypentanedioate?
dipropyl 2-hydroxypentanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-hydroxypentanedioate is sourced from PubChem (CID 141161532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).