(5-oxo-2H-furan-4-yl) 2-methylpropanoate

C8H10O4 — CID 171801599

IUPAC(5-oxo-2H-furan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1=CCOC1=O
InChIInChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h3,5H,4H2,1-2H3
InChIKeyVWQXPWOGJBKZBB-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.63
Rot. Bonds2

About (5-oxo-2H-furan-4-yl) 2-methylpropanoate

(5-oxo-2H-furan-4-yl) 2-methylpropanoate (PubChem CID 171801599) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (5-oxo-2H-furan-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(5-oxo-2H-furan-4-yl) 2-methylpropanoate
PubChem CID171801599
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(5-oxo-2H-furan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1=CCOC1=O
InChIInChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h3,5H,4H2,1-2H3
InChIKeyVWQXPWOGJBKZBB-UHFFFAOYSA-N
XLogP0.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2(5H)-furanone
CID 13597600
Dimethyl 2-methoxymaleate
CID 11332755
Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate
CID 16462971
Maleic anhydride, dihydroxy-, dipropionate
CID 22096
2,5-Furandione, 3-methoxy-
CID 11094630
diethyl (E)-2-ethoxybut-2-enedioate
CID 6376033
Fumaric acid, dimethyl ester, 2-methoxy-
CID 5366068
ethyl (Z)-2-acetyloxy-4-methylpent-2-enoate
CID 21632750
ethyl (E)-2-acetyloxy-4-methylpent-2-enoate
CID 10954570
ethyl (E)-2-(2,2-dimethylpropanoyloxy)-4-methylpent-2-enoate
CID 21632758
methyl (2Z)-2-(3-oxo-1,4-dioxan-2-ylidene)acetate
CID 134855205
diethyl (Z)-2-ethoxybut-2-enedioate
CID 5937960

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-furan-4-yl) 2-methylpropanoate?
The IUPAC name of (5-oxo-2H-furan-4-yl) 2-methylpropanoate (CID 171801599) is (5-oxo-2H-furan-4-yl) 2-methylpropanoate.
What is the SMILES notation for (5-oxo-2H-furan-4-yl) 2-methylpropanoate?
The canonical SMILES for (5-oxo-2H-furan-4-yl) 2-methylpropanoate is CC(C)C(=O)OC1=CCOC1=O.
What is the InChIKey of (5-oxo-2H-furan-4-yl) 2-methylpropanoate?
The InChIKey is VWQXPWOGJBKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h3,5H,4H2,1-2H3.
What are the key properties of (5-oxo-2H-furan-4-yl) 2-methylpropanoate?
(5-oxo-2H-furan-4-yl) 2-methylpropanoate has a molecular weight of 170.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-2H-furan-4-yl) 2-methylpropanoate is sourced from PubChem (CID 171801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).