2-methylpropyl 3-hydroxy-2-methylpropanoate

C8H16O3 — CID 14114444

IUPAC2-methylpropyl 3-hydroxy-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)CO
InChIInChI=1S/C8H16O3/c1-6(2)5-11-8(10)7(3)4-9/h6-7,9H,4-5H2,1-3H3
InChIKeyWJOHBSIPQIDCIR-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.81
Rot. Bonds4

About 2-methylpropyl 3-hydroxy-2-methylpropanoate

2-methylpropyl 3-hydroxy-2-methylpropanoate (PubChem CID 14114444) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-methylpropyl 3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 3-hydroxy-2-methylpropanoate
PubChem CID14114444
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-methylpropyl 3-hydroxy-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)CO
InChIInChI=1S/C8H16O3/c1-6(2)5-11-8(10)7(3)4-9/h6-7,9H,4-5H2,1-3H3
InChIKeyWJOHBSIPQIDCIR-UHFFFAOYSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128
2-methylpropyl 2-methylhex-4-enoate
CID 141352249
2-methylpropyl 2,5-dimethylhex-5-enoate
CID 162502138
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
CID 107825334
butyl 3-hydroxy-2-methylpropanoate
CID 14114440
2-methylpropyl acetate;hydrate
CID 86585368
CID 136863386
CID 136863386
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
2-methylpropyl 2-bromo-3-methylbutanoate
CID 139689858
2-methylpropyl 2-(2-hydroxyethylamino)butanoate
CID 82358549
[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium
CID 90417029

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-hydroxy-2-methylpropanoate?
The IUPAC name of 2-methylpropyl 3-hydroxy-2-methylpropanoate (CID 14114444) is 2-methylpropyl 3-hydroxy-2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 3-hydroxy-2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 3-hydroxy-2-methylpropanoate is CC(C)COC(=O)C(C)CO.
What is the InChIKey of 2-methylpropyl 3-hydroxy-2-methylpropanoate?
The InChIKey is WJOHBSIPQIDCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)5-11-8(10)7(3)4-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-methylpropyl 3-hydroxy-2-methylpropanoate?
2-methylpropyl 3-hydroxy-2-methylpropanoate has a molecular weight of 160.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 14114444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).