(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate

C10H20O3 — CID 57212502

IUPAC(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate
SMILESCC(O)CC(C)(C)OC(=O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)9(12)13-10(4,5)6-8(3)11/h7-8,11H,6H2,1-5H3
InChIKeyGPNKXRMPNZWALG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds4

About (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate

(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate (PubChem CID 57212502) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate
PubChem CID57212502
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate
SMILESCC(O)CC(C)(C)OC(=O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)9(12)13-10(4,5)6-8(3)11/h7-8,11H,6H2,1-5H3
InChIKeyGPNKXRMPNZWALG-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate?
The IUPAC name of (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate (CID 57212502) is (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate.
What is the SMILES notation for (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate?
The canonical SMILES for (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate is CC(O)CC(C)(C)OC(=O)C(C)C.
What is the InChIKey of (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate?
The InChIKey is GPNKXRMPNZWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)9(12)13-10(4,5)6-8(3)11/h7-8,11H,6H2,1-5H3.
What are the key properties of (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate?
(4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylpentan-2-yl) 2-methylpropanoate is sourced from PubChem (CID 57212502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).