dipropan-2-yl (2S)-2-hydroxybutanedioate

C10H18O5 — CID 11333435

IUPACdipropan-2-yl (2S)-2-hydroxybutanedioate
SMILESCC(C)OC(=O)C[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyXYVHRFVONMVDGK-QMMMGPOBSA-N
MW218.25 g/mol
LogP0.64
Rot. Bonds5

About dipropan-2-yl (2S)-2-hydroxybutanedioate

dipropan-2-yl (2S)-2-hydroxybutanedioate (PubChem CID 11333435) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is dipropan-2-yl (2S)-2-hydroxybutanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2S)-2-hydroxybutanedioate
PubChem CID11333435
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namedipropan-2-yl (2S)-2-hydroxybutanedioate
SMILESCC(C)OC(=O)C[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m0/s1
InChIKeyXYVHRFVONMVDGK-QMMMGPOBSA-N
XLogP0.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2S)-2-hydroxybutanedioate?
The IUPAC name of dipropan-2-yl (2S)-2-hydroxybutanedioate (CID 11333435) is dipropan-2-yl (2S)-2-hydroxybutanedioate.
What is the SMILES notation for dipropan-2-yl (2S)-2-hydroxybutanedioate?
The canonical SMILES for dipropan-2-yl (2S)-2-hydroxybutanedioate is CC(C)OC(=O)C[C@H](O)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2S)-2-hydroxybutanedioate?
The InChIKey is XYVHRFVONMVDGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of dipropan-2-yl (2S)-2-hydroxybutanedioate?
dipropan-2-yl (2S)-2-hydroxybutanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2S)-2-hydroxybutanedioate is sourced from PubChem (CID 11333435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).