methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate

C11H22O3 — CID 102980035

IUPACmethyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(C)(C)C(=O)OC
InChIInChI=1S/C11H22O3/c1-6-7-9(2)14-8-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3
InChIKeyQLXFKAARGUPSPZ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate

methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate (PubChem CID 102980035) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
PubChem CID102980035
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(C)(C)C(=O)OC
InChIInChI=1S/C11H22O3/c1-6-7-9(2)14-8-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3
InChIKeyQLXFKAARGUPSPZ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337
methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
methyl 3-(1-ethoxypropoxy)-2,2-dimethylpropanoate
CID 143964755
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
CID 134212603
3-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate (CID 102980035) is methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate is CCCC(C)OCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate?
The InChIKey is QLXFKAARGUPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-7-9(2)14-8-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate?
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate is sourced from PubChem (CID 102980035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).