2-methylhexan-2-yl 2-hydroxypropanoate

C10H20O3 — CID 140737636

IUPAC2-methylhexan-2-yl 2-hydroxypropanoate
SMILESCCCCC(C)(C)OC(=O)C(C)O
InChIInChI=1S/C10H20O3/c1-5-6-7-10(3,4)13-9(12)8(2)11/h8,11H,5-7H2,1-4H3
InChIKeyWMAPDOWGJNBPCR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds5

About 2-methylhexan-2-yl 2-hydroxypropanoate

2-methylhexan-2-yl 2-hydroxypropanoate (PubChem CID 140737636) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylhexan-2-yl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-methylhexan-2-yl 2-hydroxypropanoate
PubChem CID140737636
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methylhexan-2-yl 2-hydroxypropanoate
SMILESCCCCC(C)(C)OC(=O)C(C)O
InChIInChI=1S/C10H20O3/c1-5-6-7-10(3,4)13-9(12)8(2)11/h8,11H,5-7H2,1-4H3
InChIKeyWMAPDOWGJNBPCR-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpentan-2-yl 2-methylhexanoate
CID 174502235
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
5-butylnonan-5-yl methyl carbonate
CID 141441033
sodium 2-(2-hydroxypropanoyloxy)-2-methyltetradecanoate
CID 87881322
potassium 2-(2-hydroxypropanoyloxy)-2-methyloctadecanoate
CID 87516250
2-methylhexan-2-yl 2-methylpentan-3-yl carbonate
CID 129274077
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
5-(2-methylhexan-2-yloxy)-5-oxopentanoic acid
CID 174159851
(4-amino-2-methylbutan-2-yl) hexanoate
CID 175123219
hexyl 2-hydroxypropanoate;2-hydroxy-2-methyloctanoic acid
CID 175941066
2-methylhexan-2-yl N-(2-oxoethyl)carbamate
CID 138646437

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yl 2-hydroxypropanoate?
The IUPAC name of 2-methylhexan-2-yl 2-hydroxypropanoate (CID 140737636) is 2-methylhexan-2-yl 2-hydroxypropanoate.
What is the SMILES notation for 2-methylhexan-2-yl 2-hydroxypropanoate?
The canonical SMILES for 2-methylhexan-2-yl 2-hydroxypropanoate is CCCCC(C)(C)OC(=O)C(C)O.
What is the InChIKey of 2-methylhexan-2-yl 2-hydroxypropanoate?
The InChIKey is WMAPDOWGJNBPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-7-10(3,4)13-9(12)8(2)11/h8,11H,5-7H2,1-4H3.
What are the key properties of 2-methylhexan-2-yl 2-hydroxypropanoate?
2-methylhexan-2-yl 2-hydroxypropanoate has a molecular weight of 188.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yl 2-hydroxypropanoate is sourced from PubChem (CID 140737636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).