methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate

C11H14O4 — CID 103971136

IUPACmethyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C/C(C)O)oc1C
InChIInChI=1S/C11H14O4/c1-7(12)4-5-9-6-10(8(2)15-9)11(13)14-3/h4-7,12H,1-3H3/b5-4+
InChIKeyCHSDYZFQZDQBKF-SNAWJCMRSA-N
MW210.23 g/mol
LogP1.77
Rot. Bonds3

About methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate

methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate (PubChem CID 103971136) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate
PubChem CID103971136
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C/C(C)O)oc1C
InChIInChI=1S/C11H14O4/c1-7(12)4-5-9-6-10(8(2)15-9)11(13)14-3/h4-7,12H,1-3H3/b5-4+
InChIKeyCHSDYZFQZDQBKF-SNAWJCMRSA-N
XLogP1.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid
CID 53405830
methyl 5-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79334939
methyl 5-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17398738
methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79338620
methyl 5-[3-(tert-butylamino)prop-1-enyl]-2-methylfuran-3-carboxylate
CID 79348071
methyl 5-(5-ethoxy-5-oxopenta-1,3-dienyl)-2-methylfuran-3-carboxylate
CID 114193753
methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79339106
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
methyl 5-[(E)-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17408987
methyl 5-[(E)-3-(5-methoxycarbonyl-2-methylanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17414145
methyl 5-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24534717
methyl 4-[(E,3S)-3-hydroxybut-1-enyl]benzoate
CID 177480550

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate (CID 103971136) is methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(/C=C/C(C)O)oc1C.
What is the InChIKey of methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate?
The InChIKey is CHSDYZFQZDQBKF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(12)4-5-9-6-10(8(2)15-9)11(13)14-3/h4-7,12H,1-3H3/b5-4+.
What are the key properties of methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate?
methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 103971136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).