methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate

C11H16O4 — CID 79622612

IUPACmethyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCc1ccco1
InChIInChI=1S/C11H16O4/c1-11(2,10(12)13-3)8-14-7-9-5-4-6-15-9/h4-6H,7-8H2,1-3H3
InChIKeyHPQKXBVKPOZDGN-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.00
Rot. Bonds5

About methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate

methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate (PubChem CID 79622612) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
PubChem CID79622612
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Namemethyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCc1ccco1
InChIInChI=1S/C11H16O4/c1-11(2,10(12)13-3)8-14-7-9-5-4-6-15-9/h4-6H,7-8H2,1-3H3
InChIKeyHPQKXBVKPOZDGN-UHFFFAOYSA-N
XLogP2.00
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(furan-2-ylmethoxy)propanoate
CID 14833126
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
methyl 3-[(4-chlorophenyl)methoxy]-2,2-dimethylpropanoate
CID 79622106
methyl 2-[carbonochloridoyl(furan-2-ylmethyl)amino]-2-methylpropanoate
CID 155660591
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate (CID 79622612) is methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate is COC(=O)C(C)(C)COCc1ccco1.
What is the InChIKey of methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate?
The InChIKey is HPQKXBVKPOZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-11(2,10(12)13-3)8-14-7-9-5-4-6-15-9/h4-6H,7-8H2,1-3H3.
What are the key properties of methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate?
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate has a molecular weight of 212.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 79622612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).