(2S,3S)-2,3-di(propan-2-yloxy)butanedioate

C10H16O6-2 — CID 91756441

IUPAC(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
SMILESCC(C)O[C@H](C(=O)[O-])[C@H](OC(C)C)C(=O)[O-]
InChIInChI=1S/C10H18O6/c1-5(2)15-7(9(11)12)8(10(13)14)16-6(3)4/h5-8H,1-4H3,(H,11,12)(H,13,14)/p-2/t7-,8-/m0/s1
InChIKeyJITKNVISGIOFMN-YUMQZZPRSA-L
MW232.23 g/mol
LogP-1.93
Rot. Bonds7

About (2S,3S)-2,3-di(propan-2-yloxy)butanedioate

(2S,3S)-2,3-di(propan-2-yloxy)butanedioate (PubChem CID 91756441) has the molecular formula C10H16O6-2 and a molecular weight of 232.23 g/mol. Its IUPAC name is (2S,3S)-2,3-di(propan-2-yloxy)butanedioate.

Molecular Properties

Compound Name(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
PubChem CID91756441
Molecular FormulaC10H16O6-2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
SMILESCC(C)O[C@H](C(=O)[O-])[C@H](OC(C)C)C(=O)[O-]
InChIInChI=1S/C10H18O6/c1-5(2)15-7(9(11)12)8(10(13)14)16-6(3)4/h5-8H,1-4H3,(H,11,12)(H,13,14)/p-2/t7-,8-/m0/s1
InChIKeyJITKNVISGIOFMN-YUMQZZPRSA-L
XLogP-1.93
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tetrakis(2,3-di(propan-2-yloxy)butanedioate);tetrakis(propan-2-olate);tris(titanium(4+))
CID 173319991
carbonic acid;2-propan-2-yloxypropane
CID 158018053
dialuminum;hexakis(3-oxo-4,4-di(propan-2-yloxy)butanoate)
CID 175606848
sodium 3-hydroxy-2-methoxybutanoate
CID 73426627
2-ethoxy-3-methylbutanoate
CID 23183641
barium(2+);bis(2-methylpropanoate)
CID 23219604
calcium bis(2-methylpropanoate)
CID 102602609
tris(2-methylpropanoate);thallium(3+)
CID 173444614
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
dilithium bis(2-methylpropanoate)
CID 86626069

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-di(propan-2-yloxy)butanedioate?
The IUPAC name of (2S,3S)-2,3-di(propan-2-yloxy)butanedioate (CID 91756441) is (2S,3S)-2,3-di(propan-2-yloxy)butanedioate.
What is the SMILES notation for (2S,3S)-2,3-di(propan-2-yloxy)butanedioate?
The canonical SMILES for (2S,3S)-2,3-di(propan-2-yloxy)butanedioate is CC(C)O[C@H](C(=O)[O-])[C@H](OC(C)C)C(=O)[O-].
What is the InChIKey of (2S,3S)-2,3-di(propan-2-yloxy)butanedioate?
The InChIKey is JITKNVISGIOFMN-YUMQZZPRSA-L. The full InChI is InChI=1S/C10H18O6/c1-5(2)15-7(9(11)12)8(10(13)14)16-6(3)4/h5-8H,1-4H3,(H,11,12)(H,13,14)/p-2/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3-di(propan-2-yloxy)butanedioate?
(2S,3S)-2,3-di(propan-2-yloxy)butanedioate has a molecular weight of 232.23 g/mol, XLogP of -1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-di(propan-2-yloxy)butanedioate is sourced from PubChem (CID 91756441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).