2-ethyl-2-methylbutanedioic acid;methane

C9H20O4 — CID 159087915

IUPAC2-ethyl-2-methylbutanedioic acid;methane
SMILESC.C.CCC(C)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O4.2CH4/c1-3-7(2,6(10)11)4-5(8)9;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4
InChIKeyKBRJAYDDAZPRIX-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.23
Rot. Bonds4

About 2-ethyl-2-methylbutanedioic acid;methane

2-ethyl-2-methylbutanedioic acid;methane (PubChem CID 159087915) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-ethyl-2-methylbutanedioic acid;methane.

Molecular Properties

Compound Name2-ethyl-2-methylbutanedioic acid;methane
PubChem CID159087915
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-ethyl-2-methylbutanedioic acid;methane
SMILESC.C.CCC(C)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O4.2CH4/c1-3-7(2,6(10)11)4-5(8)9;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4
InChIKeyKBRJAYDDAZPRIX-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylbutanedioic acid;methane?
The IUPAC name of 2-ethyl-2-methylbutanedioic acid;methane (CID 159087915) is 2-ethyl-2-methylbutanedioic acid;methane.
What is the SMILES notation for 2-ethyl-2-methylbutanedioic acid;methane?
The canonical SMILES for 2-ethyl-2-methylbutanedioic acid;methane is C.C.CCC(C)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-2-methylbutanedioic acid;methane?
The InChIKey is KBRJAYDDAZPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.2CH4/c1-3-7(2,6(10)11)4-5(8)9;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4.
What are the key properties of 2-ethyl-2-methylbutanedioic acid;methane?
2-ethyl-2-methylbutanedioic acid;methane has a molecular weight of 192.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylbutanedioic acid;methane is sourced from PubChem (CID 159087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).