2-(furan-2-yl)-2-methylbutanoate

C9H11O3- — CID 57375081

IUPAC2-(furan-2-yl)-2-methylbutanoate
SMILESCCC(C)(C(=O)[O-])c1ccco1
InChIInChI=1S/C9H12O3/c1-3-9(2,8(10)11)7-5-4-6-12-7/h4-6H,3H2,1-2H3,(H,10,11)/p-1
InChIKeyGEHBYIRGRUYEOU-UHFFFAOYSA-M
MW167.18 g/mol
LogP0.70
Rot. Bonds3

About 2-(furan-2-yl)-2-methylbutanoate

2-(furan-2-yl)-2-methylbutanoate (PubChem CID 57375081) has the molecular formula C9H11O3- and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-methylbutanoate.

Molecular Properties

Compound Name2-(furan-2-yl)-2-methylbutanoate
PubChem CID57375081
Molecular FormulaC9H11O3-
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(furan-2-yl)-2-methylbutanoate
SMILESCCC(C)(C(=O)[O-])c1ccco1
InChIInChI=1S/C9H12O3/c1-3-9(2,8(10)11)7-5-4-6-12-7/h4-6H,3H2,1-2H3,(H,10,11)/p-1
InChIKeyGEHBYIRGRUYEOU-UHFFFAOYSA-M
XLogP0.70
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
diethyl 2-(furan-2-yl)-2-hydroxypropanedioate
CID 12836548
1-(furan-2-yl)-1-phenylpropan-1-ol
CID 63949160
methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
CID 66098609
2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide
CID 82109974
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
2-ethyl-2-(furan-2-yl)butan-1-amine
CID 83816012
2-(furan-2-yl)-2-(methoxyamino)propanamide
CID 142650613
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321
ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-methylbutanoate?
The IUPAC name of 2-(furan-2-yl)-2-methylbutanoate (CID 57375081) is 2-(furan-2-yl)-2-methylbutanoate.
What is the SMILES notation for 2-(furan-2-yl)-2-methylbutanoate?
The canonical SMILES for 2-(furan-2-yl)-2-methylbutanoate is CCC(C)(C(=O)[O-])c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-methylbutanoate?
The InChIKey is GEHBYIRGRUYEOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O3/c1-3-9(2,8(10)11)7-5-4-6-12-7/h4-6H,3H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 2-(furan-2-yl)-2-methylbutanoate?
2-(furan-2-yl)-2-methylbutanoate has a molecular weight of 167.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-methylbutanoate is sourced from PubChem (CID 57375081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).