(1-hydroxy-3-methylbutan-2-yl) acetate

C7H14O3 — CID 154094569

IUPAC(1-hydroxy-3-methylbutan-2-yl) acetate
SMILESCC(=O)OC(CO)C(C)C
InChIInChI=1S/C7H14O3/c1-5(2)7(4-8)10-6(3)9/h5,7-8H,4H2,1-3H3
InChIKeyXTIPZLBQDGDJCB-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds3

About (1-hydroxy-3-methylbutan-2-yl) acetate

(1-hydroxy-3-methylbutan-2-yl) acetate (PubChem CID 154094569) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1-hydroxy-3-methylbutan-2-yl) acetate.

Molecular Properties

Compound Name(1-hydroxy-3-methylbutan-2-yl) acetate
PubChem CID154094569
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(1-hydroxy-3-methylbutan-2-yl) acetate
SMILESCC(=O)OC(CO)C(C)C
InChIInChI=1S/C7H14O3/c1-5(2)7(4-8)10-6(3)9/h5,7-8H,4H2,1-3H3
InChIKeyXTIPZLBQDGDJCB-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-hydroxy-3-methylbutan-2-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4,5-triacetyloxy-6-hydroxyhexan-2-yl) acetate
CID 89196523
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate
CID 102116238
(4,5-diacetyloxy-1-amino-6-hydroxyhexan-3-yl) acetate
CID 123368932
(1,6-dihydroxy-4,5-dimethoxyhexan-3-yl) acetate
CID 168951553
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
[(2R,3R)-2-bromopentan-3-yl] acetate
CID 139645708
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
(5-hydroxy-2,7-dimethyloctan-4-yl) acetate
CID 141029389
[(2R,3R)-3-acetyloxy-2-acetylsulfanyl-4-hydroxybutyl] acetate
CID 10587688
[(3R,4S,5R)-3,4,5-triacetyloxy-6-hydroxy-2-oxohexyl] acetate
CID 87557307

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methylbutan-2-yl) acetate?
The IUPAC name of (1-hydroxy-3-methylbutan-2-yl) acetate (CID 154094569) is (1-hydroxy-3-methylbutan-2-yl) acetate.
What is the SMILES notation for (1-hydroxy-3-methylbutan-2-yl) acetate?
The canonical SMILES for (1-hydroxy-3-methylbutan-2-yl) acetate is CC(=O)OC(CO)C(C)C.
What is the InChIKey of (1-hydroxy-3-methylbutan-2-yl) acetate?
The InChIKey is XTIPZLBQDGDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)7(4-8)10-6(3)9/h5,7-8H,4H2,1-3H3.
What are the key properties of (1-hydroxy-3-methylbutan-2-yl) acetate?
(1-hydroxy-3-methylbutan-2-yl) acetate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methylbutan-2-yl) acetate is sourced from PubChem (CID 154094569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).