2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate

C10H20O4 — CID 90020250

IUPAC2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(O)C(=O)OCC(C)O
InChIInChI=1S/C10H20O4/c1-5-7(2)10(4,13)9(12)14-6-8(3)11/h7-8,11,13H,5-6H2,1-4H3
InChIKeyMTVSRLYTVSFPGM-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.71
Rot. Bonds5

About 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate

2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate (PubChem CID 90020250) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate
PubChem CID90020250
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(O)C(=O)OCC(C)O
InChIInChI=1S/C10H20O4/c1-5-7(2)10(4,13)9(12)14-6-8(3)11/h7-8,11,13H,5-6H2,1-4H3
InChIKeyMTVSRLYTVSFPGM-UHFFFAOYSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetyl 2-hydroxy-2,3-dimethylpentanoate
CID 174617491
azane;2-hydroxypropyl 2,2,3-trimethyloctanoate
CID 175168571
N,N-dibutylbutan-1-amine;2-hydroxypropyl 2,2-dimethylpropanoate
CID 87633887
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
ethanol;2-hydroxypropyl acetate
CID 88717262
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
[(2S,3R,4R,5R)-3,4,5-trihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
CID 162953258
2-hydroxypropyl acetate;mercury
CID 174858394
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
1-O-(2-hydroxypropyl) 5-O-(oxiran-2-ylmethyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 59790513
4-O-tert-butyl 1-O-methyl (2S,3S)-2-[(2S)-butan-2-yl]-3-hydroxy-2-methylbutanedioate
CID 72696189

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate?
The IUPAC name of 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate (CID 90020250) is 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate.
What is the SMILES notation for 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate?
The canonical SMILES for 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate is CCC(C)C(C)(O)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate?
The InChIKey is MTVSRLYTVSFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-7(2)10(4,13)9(12)14-6-8(3)11/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate?
2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate has a molecular weight of 204.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate is sourced from PubChem (CID 90020250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).