propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate

C12H18O4 — CID 11075103

IUPACpropan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate
SMILESC=CCC1(C(=O)OC(C)C)OCC=C1OC
InChIInChI=1S/C12H18O4/c1-5-7-12(11(13)16-9(2)3)10(14-4)6-8-15-12/h5-6,9H,1,7-8H2,2-4H3
InChIKeyICDZWPCXIQBKNR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.81
Rot. Bonds5

About propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate

propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate (PubChem CID 11075103) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate
PubChem CID11075103
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Namepropan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate
SMILESC=CCC1(C(=O)OC(C)C)OCC=C1OC
InChIInChI=1S/C12H18O4/c1-5-7-12(11(13)16-9(2)3)10(14-4)6-8-15-12/h5-6,9H,1,7-8H2,2-4H3
InChIKeyICDZWPCXIQBKNR-UHFFFAOYSA-N
XLogP1.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis(ethoxymethyl)furfural
CID 141263542
Diethyl 3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 556968
methyl 2-methyl-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 131243860
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
Ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate
CID 102600250
2H-Pyran-2,2-dicarboxylic acid, 3,6-dihydro-6-methyl-, diethyl ester
CID 565728
dimethyl 3-[(E)-prop-1-enyl]-1,4-dioxane-2,2-dicarboxylate
CID 10657901
2H-Pyran-2,2-dicarboxylic acid, 3,6-dihydro-3,6-dimethyl-, diethyl ester, trans-
CID 22215813
[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 23255408
2H-Pyran-2,2-dicarboxylic acid, 3,6-dihydro-3,6-dimethyl-, diethyl ester, cis-
CID 91704153
trans-3-acetoxy-3,6-dihydro-2H-pyran-2-carboxylic acid ethyl ester
CID 10013476
(2s,3r)-3-Acetoxy-3,6-dihydro-2h-pyran-2-carboxylic acid ethyl ester
CID 10242330

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate?
The IUPAC name of propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate (CID 11075103) is propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate?
The canonical SMILES for propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate is C=CCC1(C(=O)OC(C)C)OCC=C1OC.
What is the InChIKey of propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate?
The InChIKey is ICDZWPCXIQBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-7-12(11(13)16-9(2)3)10(14-4)6-8-15-12/h5-6,9H,1,7-8H2,2-4H3.
What are the key properties of propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate?
propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate is sourced from PubChem (CID 11075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).