2-methylpentyl 2-hydroxy-2-methylpropanoate

C10H20O3 — CID 89018775

IUPAC2-methylpentyl 2-hydroxy-2-methylpropanoate
SMILESCCCC(C)COC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-5-6-8(2)7-13-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3
InChIKeyIAVBMSKIWRPVPN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds5

About 2-methylpentyl 2-hydroxy-2-methylpropanoate

2-methylpentyl 2-hydroxy-2-methylpropanoate (PubChem CID 89018775) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylpentyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpentyl 2-hydroxy-2-methylpropanoate
PubChem CID89018775
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methylpentyl 2-hydroxy-2-methylpropanoate
SMILESCCCC(C)COC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-5-6-8(2)7-13-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3
InChIKeyIAVBMSKIWRPVPN-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethylhept-5-enyl 2-hydroxy-2-methylpropanoate
CID 166505129
2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl carbonofluoridate
CID 175528242
2,3,5-trimethylheptyl 2-hydroxy-2-methylpropanoate
CID 166505142
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
CID 166505156
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
2-(ethylamino)-2-methyl-3-(2-methylpentoxy)propanamide
CID 103284979
bis(2-methylpentyl) heptanedioate
CID 91718408
2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate
CID 167200781
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 2-methylpentyl 2-hydroxy-2-methylpropanoate (CID 89018775) is 2-methylpentyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 2-methylpentyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 2-methylpentyl 2-hydroxy-2-methylpropanoate is CCCC(C)COC(=O)C(C)(C)O.
What is the InChIKey of 2-methylpentyl 2-hydroxy-2-methylpropanoate?
The InChIKey is IAVBMSKIWRPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-8(2)7-13-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-methylpentyl 2-hydroxy-2-methylpropanoate?
2-methylpentyl 2-hydroxy-2-methylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 89018775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).