(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid

C10H18O5 — CID 7567742

IUPAC(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
SMILESCC(C)O[C@](CC(=O)O)(C(=O)O)C(C)C
InChIInChI=1S/C10H18O5/c1-6(2)10(9(13)14,5-8(11)12)15-7(3)4/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14)/t10-/m0/s1
InChIKeyDQOODBSVDOAUMP-JTQLQIEISA-N
MW218.25 g/mol
LogP1.37
Rot. Bonds6

About (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid

(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid (PubChem CID 7567742) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
PubChem CID7567742
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
SMILESCC(C)O[C@](CC(=O)O)(C(=O)O)C(C)C
InChIInChI=1S/C10H18O5/c1-6(2)10(9(13)14,5-8(11)12)15-7(3)4/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14)/t10-/m0/s1
InChIKeyDQOODBSVDOAUMP-JTQLQIEISA-N
XLogP1.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid?
The IUPAC name of (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid (CID 7567742) is (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid.
What is the SMILES notation for (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid?
The canonical SMILES for (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid is CC(C)O[C@](CC(=O)O)(C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid?
The InChIKey is DQOODBSVDOAUMP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O5/c1-6(2)10(9(13)14,5-8(11)12)15-7(3)4/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid?
(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid has a molecular weight of 218.25 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid is sourced from PubChem (CID 7567742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).