2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid

C12H22O4 — CID 18516503

IUPAC2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22O4/c1-8(2)7-12(6,9(13)14)10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,13,14)
InChIKeyJOYONPPZSDEZTI-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.47
Rot. Bonds4

About 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid

2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid (PubChem CID 18516503) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
PubChem CID18516503
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22O4/c1-8(2)7-12(6,9(13)14)10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,13,14)
InChIKeyJOYONPPZSDEZTI-UHFFFAOYSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid (CID 18516503) is 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid is CC(C)CC(C)(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The InChIKey is JOYONPPZSDEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-8(2)7-12(6,9(13)14)10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,13,14).
What are the key properties of 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid is sourced from PubChem (CID 18516503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).