[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate

C9H18O3 — CID 11805240

IUPAC[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CO)CC(C)(C)C
InChIInChI=1S/C9H18O3/c1-7(11)12-8(6-10)5-9(2,3)4/h8,10H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIQQJQBKQJYMIEW-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.35
Rot. Bonds3

About [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate

[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate (PubChem CID 11805240) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
PubChem CID11805240
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CO)CC(C)(C)C
InChIInChI=1S/C9H18O3/c1-7(11)12-8(6-10)5-9(2,3)4/h8,10H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIQQJQBKQJYMIEW-MRVPVSSYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-hydroxy-4,4-dimethylpentan-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

[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
CID 58519918
(1,5-dihydroxy-4-oxohexan-2-yl) acetate
CID 91459137
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
CID 102240504
(1-hydroxy-6-methoxyhexan-2-yl) acetate
CID 58841527
(2-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
(313C)heptan-4-yl acetate
CID 117065532
[(4R)-4-acetyloxy-2,2,5,5-tetramethylhexan-3-yl] acetate
CID 88576359
2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
CID 168837690

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate?
The IUPAC name of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate (CID 11805240) is [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate?
The canonical SMILES for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate is CC(=O)O[C@@H](CO)CC(C)(C)C.
What is the InChIKey of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate?
The InChIKey is IQQJQBKQJYMIEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(11)12-8(6-10)5-9(2,3)4/h8,10H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate?
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate has a molecular weight of 174.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate is sourced from PubChem (CID 11805240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).