methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate

C10H20O3 — CID 62397378

IUPACmethyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
SMILESCOC(=O)C(C(C)C)C(O)C(C)C
InChIInChI=1S/C10H20O3/c1-6(2)8(10(12)13-5)9(11)7(3)4/h6-9,11H,1-5H3
InChIKeyGLJYBLMIUUFVQB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.45
Rot. Bonds4

About methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate

methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate (PubChem CID 62397378) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
PubChem CID62397378
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
SMILESCOC(=O)C(C(C)C)C(O)C(C)C
InChIInChI=1S/C10H20O3/c1-6(2)8(10(12)13-5)9(11)7(3)4/h6-9,11H,1-5H3
InChIKeyGLJYBLMIUUFVQB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
CID 10634108
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
methyl 2-[hydroxy-(4-hydroxyphenyl)methyl]-3-methylbutanoate
CID 55071607
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 3-hydroxy-2-propan-2-ylheptanoate
CID 62397377
methyl (2S,3S)-2-acetamido-3-hydroxy-4-methylpentanoate
CID 11367693
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite
CID 129035728

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate?
The IUPAC name of methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate (CID 62397378) is methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate is COC(=O)C(C(C)C)C(O)C(C)C.
What is the InChIKey of methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate?
The InChIKey is GLJYBLMIUUFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6(2)8(10(12)13-5)9(11)7(3)4/h6-9,11H,1-5H3.
What are the key properties of methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate?
methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 62397378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).