dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate

C14H22O6 — CID 11087381

IUPACdicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(OC1CCCC1)[C@H](O)[C@@H](O)C(=O)OC1CCCC1
InChIInChI=1S/C14H22O6/c15-11(13(17)19-9-5-1-2-6-9)12(16)14(18)20-10-7-3-4-8-10/h9-12,15-16H,1-8H2/t11-,12-/m1/s1
InChIKeyFLWYQJYWQMWNHA-VXGBXAGGSA-N
MW286.32 g/mol
LogP0.68
Rot. Bonds5

About dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate

dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 11087381) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namedicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID11087381
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namedicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(OC1CCCC1)[C@H](O)[C@@H](O)C(=O)OC1CCCC1
InChIInChI=1S/C14H22O6/c15-11(13(17)19-9-5-1-2-6-9)12(16)14(18)20-10-7-3-4-8-10/h9-12,15-16H,1-8H2/t11-,12-/m1/s1
InChIKeyFLWYQJYWQMWNHA-VXGBXAGGSA-N
XLogP0.68
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diisopropyl tartrate
CID 6453580
(+)-Dibutyl tartrate
CID 6910
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Dibutyl L-tartrate
CID 220014
Diisopropyl (R)-(+)-malate
CID 10921962
Diisopropyl (S)-(-)-malate
CID 11333435
Dipropyl tartrate
CID 102767
Diisopropyl 2,3-dihydroxysuccinate
CID 102768
Diisopropyl(R)-(+)-malate
CID 245438
Dipropyl malate
CID 245439
Butanedioic acid, hydroxy-, dipentyl ester, (+/-)-
CID 538423

Frequently Asked Questions

What is the IUPAC name of dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate (CID 11087381) is dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate is O=C(OC1CCCC1)[C@H](O)[C@@H](O)C(=O)OC1CCCC1.
What is the InChIKey of dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is FLWYQJYWQMWNHA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22O6/c15-11(13(17)19-9-5-1-2-6-9)12(16)14(18)20-10-7-3-4-8-10/h9-12,15-16H,1-8H2/t11-,12-/m1/s1.
What are the key properties of dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate?
dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 286.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 11087381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).