bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate

C12H22O6 — CID 14609995

IUPACbis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C
InChIInChI=1S/C12H22O6/c1-7(2)5-17-11(15)9(13)10(14)12(16)18-6-8(3)4/h7-10,13-14H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyONZOGXRINCURBP-NXEZZACHSA-N
MW262.30 g/mol
LogP0.11
Rot. Bonds7

About bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate

bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 14609995) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID14609995
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Namebis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C
InChIInChI=1S/C12H22O6/c1-7(2)5-17-11(15)9(13)10(14)12(16)18-6-8(3)4/h7-10,13-14H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyONZOGXRINCURBP-NXEZZACHSA-N
XLogP0.11
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate (CID 14609995) is bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate is CC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C.
What is the InChIKey of bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is ONZOGXRINCURBP-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22O6/c1-7(2)5-17-11(15)9(13)10(14)12(16)18-6-8(3)4/h7-10,13-14H,5-6H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 262.30 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 14609995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).