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

C10H20O3 — CID 62395625

IUPACmethyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
SMILESCCC(C)(O)C(C(=O)OC)C(C)C
InChIInChI=1S/C10H20O3/c1-6-10(4,12)8(7(2)3)9(11)13-5/h7-8,12H,6H2,1-5H3
InChIKeyZMPOUEDZBSUYIH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.59
Rot. Bonds4

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

methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate (PubChem CID 62395625) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
PubChem CID62395625
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
SMILESCCC(C)(O)C(C(=O)OC)C(C)C
InChIInChI=1S/C10H20O3/c1-6-10(4,12)8(7(2)3)9(11)13-5/h7-8,12H,6H2,1-5H3
InChIKeyZMPOUEDZBSUYIH-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-chlorophenyl)-3-hydroxy-3-methyl-2-propan-2-ylbutanoate
CID 114081535
methyl (2S,3R)-2-tert-butyl-3-hydroxyhexanoate
CID 131848515
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 166908184
dimethyl 2-(2-hydroxy-2,3-dimethylbutyl)propanedioate
CID 114497667
methyl 3-hydroxy-2,3,5-trimethylhexanoate
CID 62393814
methyl 4-methoxy-4-methyl-3-oxo-2-propan-2-ylhexanoate
CID 116774830
methyl 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-3-methylbutanoate
CID 114492798
ethyl 3-hydroxy-4,4-dimethoxy-3-methyl-2-propan-2-ylbutanoate
CID 66038601
methyl (2R)-4,4,4-trichloro-2-methylbutanoate
CID 6932681
methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
CID 79397397

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate?
The IUPAC name of methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate (CID 62395625) is methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate is CCC(C)(O)C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate?
The InChIKey is ZMPOUEDZBSUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-10(4,12)8(7(2)3)9(11)13-5/h7-8,12H,6H2,1-5H3.
What are the key properties of methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate?
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 62395625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).