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

C8H16O3 — CID 10057799

IUPAC(4-hydroxy-4-methylpentan-2-yl) acetate
SMILESCC(=O)OC(C)CC(C)(C)O
InChIInChI=1S/C8H16O3/c1-6(11-7(2)9)5-8(3,4)10/h6,10H,5H2,1-4H3
InChIKeyACIKODFUQPBGQZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.10
Rot. Bonds3

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

(4-hydroxy-4-methylpentan-2-yl) acetate (PubChem CID 10057799) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (4-hydroxy-4-methylpentan-2-yl) acetate.

Molecular Properties

Compound Name(4-hydroxy-4-methylpentan-2-yl) acetate
PubChem CID10057799
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(4-hydroxy-4-methylpentan-2-yl) acetate
SMILESCC(=O)OC(C)CC(C)(C)O
InChIInChI=1S/C8H16O3/c1-6(11-7(2)9)5-8(3,4)10/h6,10H,5H2,1-4H3
InChIKeyACIKODFUQPBGQZ-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpentan-2-yl) acetate?
The IUPAC name of (4-hydroxy-4-methylpentan-2-yl) acetate (CID 10057799) is (4-hydroxy-4-methylpentan-2-yl) acetate.
What is the SMILES notation for (4-hydroxy-4-methylpentan-2-yl) acetate?
The canonical SMILES for (4-hydroxy-4-methylpentan-2-yl) acetate is CC(=O)OC(C)CC(C)(C)O.
What is the InChIKey of (4-hydroxy-4-methylpentan-2-yl) acetate?
The InChIKey is ACIKODFUQPBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(11-7(2)9)5-8(3,4)10/h6,10H,5H2,1-4H3.
What are the key properties of (4-hydroxy-4-methylpentan-2-yl) acetate?
(4-hydroxy-4-methylpentan-2-yl) acetate has a molecular weight of 160.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpentan-2-yl) acetate is sourced from PubChem (CID 10057799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).