propyl 3-(furan-2-yl)-2-methylpropanoate

C11H16O3 — CID 175280714

IUPACpropyl 3-(furan-2-yl)-2-methylpropanoate
SMILESCCCOC(=O)C(C)Cc1ccco1
InChIInChI=1S/C11H16O3/c1-3-6-14-11(12)9(2)8-10-5-4-7-13-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyMUWZCZWNDWGZPW-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.41
Rot. Bonds5

About propyl 3-(furan-2-yl)-2-methylpropanoate

propyl 3-(furan-2-yl)-2-methylpropanoate (PubChem CID 175280714) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is propyl 3-(furan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 3-(furan-2-yl)-2-methylpropanoate
PubChem CID175280714
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namepropyl 3-(furan-2-yl)-2-methylpropanoate
SMILESCCCOC(=O)C(C)Cc1ccco1
InChIInChI=1S/C11H16O3/c1-3-6-14-11(12)9(2)8-10-5-4-7-13-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyMUWZCZWNDWGZPW-UHFFFAOYSA-N
XLogP2.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(furan-2-yl)-2-methylpropanoate
CID 132501734
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143

Frequently Asked Questions

What is the IUPAC name of propyl 3-(furan-2-yl)-2-methylpropanoate?
The IUPAC name of propyl 3-(furan-2-yl)-2-methylpropanoate (CID 175280714) is propyl 3-(furan-2-yl)-2-methylpropanoate.
What is the SMILES notation for propyl 3-(furan-2-yl)-2-methylpropanoate?
The canonical SMILES for propyl 3-(furan-2-yl)-2-methylpropanoate is CCCOC(=O)C(C)Cc1ccco1.
What is the InChIKey of propyl 3-(furan-2-yl)-2-methylpropanoate?
The InChIKey is MUWZCZWNDWGZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-6-14-11(12)9(2)8-10-5-4-7-13-10/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of propyl 3-(furan-2-yl)-2-methylpropanoate?
propyl 3-(furan-2-yl)-2-methylpropanoate has a molecular weight of 196.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(furan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 175280714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).