ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate

C11H16O3 — CID 100963662

IUPACethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=C(C)C)C1
InChIInChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h5-6H2,1-4H3
InChIKeyDGDKLZWHXLGFDD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.54
Rot. Bonds2

About ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate

ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate (PubChem CID 100963662) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate
PubChem CID100963662
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=C(C)C)C1
InChIInChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h5-6H2,1-4H3
InChIKeyDGDKLZWHXLGFDD-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
CID 54679331
Diethyl Isopropylidenesuccinate
CID 251287
4-Methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
CID 281859
(3Z)-4-methyl-3-(4-methyltetrahydrofuran-2-ylidene)tetrahydrofuran-2-one
CID 5382217
Methyl 2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12448914
2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate
CID 330208
3-Furancarboxylicacid,4,5-dihydro-2-methyl-5-methylene-,methylester(9CI)
CID 10034819
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CID 11116447
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate (CID 100963662) is ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate is CCOC(=O)C1=C(C)OC(=C(C)C)C1.
What is the InChIKey of ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate?
The InChIKey is DGDKLZWHXLGFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h5-6H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate?
ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-propan-2-ylidene-3H-furan-4-carboxylate is sourced from PubChem (CID 100963662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).