2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid

C13H24O5 — CID 118610895

IUPAC2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCOC(CC(C)C)(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C13H24O5/c1-8(2)6-10(11(14)15)13(18-5,12(16)17)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyVHRIVMSHTYXGQW-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.25
Rot. Bonds8

About 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid

2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid (PubChem CID 118610895) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid
PubChem CID118610895
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCOC(CC(C)C)(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C13H24O5/c1-8(2)6-10(11(14)15)13(18-5,12(16)17)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyVHRIVMSHTYXGQW-UHFFFAOYSA-N
XLogP2.25
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid?
The IUPAC name of 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid (CID 118610895) is 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid.
What is the SMILES notation for 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid?
The canonical SMILES for 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid is COC(CC(C)C)(C(=O)O)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid?
The InChIKey is VHRIVMSHTYXGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-8(2)6-10(11(14)15)13(18-5,12(16)17)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid?
2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid has a molecular weight of 260.33 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid is sourced from PubChem (CID 118610895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).