2,3-di(butan-2-yloxy)butanedioic acid

C12H22O6 — CID 87883512

IUPAC2,3-di(butan-2-yloxy)butanedioic acid
SMILESCCC(C)OC(C(=O)O)C(OC(C)CC)C(=O)O
InChIInChI=1S/C12H22O6/c1-5-7(3)17-9(11(13)14)10(12(15)16)18-8(4)6-2/h7-10H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyRYXDCUUDRZVDRS-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.52
Rot. Bonds9

About 2,3-di(butan-2-yloxy)butanedioic acid

2,3-di(butan-2-yloxy)butanedioic acid (PubChem CID 87883512) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2,3-di(butan-2-yloxy)butanedioic acid.

Molecular Properties

Compound Name2,3-di(butan-2-yloxy)butanedioic acid
PubChem CID87883512
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name2,3-di(butan-2-yloxy)butanedioic acid
SMILESCCC(C)OC(C(=O)O)C(OC(C)CC)C(=O)O
InChIInChI=1S/C12H22O6/c1-5-7(3)17-9(11(13)14)10(12(15)16)18-8(4)6-2/h7-10H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyRYXDCUUDRZVDRS-UHFFFAOYSA-N
XLogP1.52
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(4-methylpentan-2-yloxy)butanedioic acid
CID 18506290
2-butan-2-yloxybutane;ethanol
CID 88614162
3-butan-2-yloxy-3-cyano-2-methylpropanoic acid
CID 23629620
2-butan-2-yloxybutane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174496086
(2S)-2-butan-2-yloxy-4-methylpentan-3-one
CID 176614687
azane;2-butan-2-yloxybutane
CID 87187028
4-(1-butan-2-yloxyethoxy)-4-oxobutanoic acid
CID 21454696
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
(2S)-2-(butan-2-yloxyamino)propanoic acid
CID 45086745
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327

Frequently Asked Questions

What is the IUPAC name of 2,3-di(butan-2-yloxy)butanedioic acid?
The IUPAC name of 2,3-di(butan-2-yloxy)butanedioic acid (CID 87883512) is 2,3-di(butan-2-yloxy)butanedioic acid.
What is the SMILES notation for 2,3-di(butan-2-yloxy)butanedioic acid?
The canonical SMILES for 2,3-di(butan-2-yloxy)butanedioic acid is CCC(C)OC(C(=O)O)C(OC(C)CC)C(=O)O.
What is the InChIKey of 2,3-di(butan-2-yloxy)butanedioic acid?
The InChIKey is RYXDCUUDRZVDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-5-7(3)17-9(11(13)14)10(12(15)16)18-8(4)6-2/h7-10H,5-6H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2,3-di(butan-2-yloxy)butanedioic acid?
2,3-di(butan-2-yloxy)butanedioic acid has a molecular weight of 262.30 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(butan-2-yloxy)butanedioic acid is sourced from PubChem (CID 87883512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).