ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate

C10H14O3 — CID 10856120

IUPACethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
SMILESC/C=C1/CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4H,5-6H2,1-3H3/b8-4-
InChIKeyIYABMPUIGRSPQF-YWEYNIOJSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds2

About ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate

ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate (PubChem CID 10856120) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
PubChem CID10856120
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
SMILESC/C=C1/CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4H,5-6H2,1-3H3/b8-4-
InChIKeyIYABMPUIGRSPQF-YWEYNIOJSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate?
The IUPAC name of ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate (CID 10856120) is ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate?
The canonical SMILES for ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate is C/C=C1/CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate?
The InChIKey is IYABMPUIGRSPQF-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4H,5-6H2,1-3H3/b8-4-.
What are the key properties of ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate?
ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate is sourced from PubChem (CID 10856120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).