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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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).