ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol

C9H16O4 — CID 176996283

IUPACethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol
SMILESCCOC(=O)C1=CCC(C)O1.CO
InChIInChI=1S/C8H12O3.CH4O/c1-3-10-8(9)7-5-4-6(2)11-7;1-2/h5-6H,3-4H2,1-2H3;2H,1H3
InChIKeySMCSLCIMXKQLPQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.85
Rot. Bonds2

About ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol

ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol (PubChem CID 176996283) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol.

Molecular Properties

Compound Nameethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol
PubChem CID176996283
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol
SMILESCCOC(=O)C1=CCC(C)O1.CO
InChIInChI=1S/C8H12O3.CH4O/c1-3-10-8(9)7-5-4-6(2)11-7;1-2/h5-6H,3-4H2,1-2H3;2H,1H3
InChIKeySMCSLCIMXKQLPQ-UHFFFAOYSA-N
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-formyl-2,3-dihydrofuran-5-carboxylate
CID 163746906
ethyl 2,3-dihydro-1,3-oxazole-5-carboxylate
CID 167441469
ethyl (2S,3R,4S)-2,3,4-triacetyloxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 56652453
ethyl 2-methyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 118096619
3-bromo-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 5217229
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
(2S)-5-ethoxycarbonyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 90885660
ethyl 6-ethylsulfinyl-5,6-dihydro-2H-oxazine-3-carboxylate
CID 117058868
ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
ethyl (4R,5S)-4,5-dihydroxy-5,6-dihydro-4H-oxazine-3-carboxylate
CID 100937843
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
diethyl 3,4-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 66938526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol?
The IUPAC name of ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol (CID 176996283) is ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol.
What is the SMILES notation for ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol?
The canonical SMILES for ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol is CCOC(=O)C1=CCC(C)O1.CO.
What is the InChIKey of ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol?
The InChIKey is SMCSLCIMXKQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.CH4O/c1-3-10-8(9)7-5-4-6(2)11-7;1-2/h5-6H,3-4H2,1-2H3;2H,1H3.
What are the key properties of ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol?
ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol has a molecular weight of 188.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2,3-dihydrofuran-5-carboxylate;methanol is sourced from PubChem (CID 176996283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).