(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one

C10H14O3 — CID 12026270

IUPAC(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
SMILESCCOC1=CC(=O)O/C1=C(/C)CC
InChIInChI=1S/C10H14O3/c1-4-7(3)10-8(12-5-2)6-9(11)13-10/h6H,4-5H2,1-3H3/b10-7-
InChIKeyMGHRIDAMGYNORG-YFHOEESVSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds3

About (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one

(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one (PubChem CID 12026270) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
PubChem CID12026270
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
SMILESCCOC1=CC(=O)O/C1=C(/C)CC
InChIInChI=1S/C10H14O3/c1-4-7(3)10-8(12-5-2)6-9(11)13-10/h6H,4-5H2,1-3H3/b10-7-
InChIKeyMGHRIDAMGYNORG-YFHOEESVSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

Nectriapyrone
CID 5358550
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
2H-Pyran-2-one, 4-methoxy-5-methyl-6-propyl-
CID 11309896
6-Ethyl-4-methyl-2H-pyran-2-one
CID 13758629
Pestalopyrone
CID 14841097
Pyrenocine R
CID 134143541
6-But-2-en-2-yl-4-methoxy-3-methylpyran-2-one
CID 185885
6-But-2-en-2-yl-4-methoxypyran-2-one
CID 72739884
4-Methyl-6-prop-1-en-2-ylpyran-2-one
CID 76308305
6-Ethyl-4-methoxy-3-methylpyran-2-one
CID 10464705
5-Ethyl-4-methoxy-6-methylpyran-2-one
CID 13319282
Pestalotiopyrone G
CID 52920646

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one?
The IUPAC name of (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one (CID 12026270) is (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one.
What is the SMILES notation for (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one?
The canonical SMILES for (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one is CCOC1=CC(=O)O/C1=C(/C)CC.
What is the InChIKey of (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one?
The InChIKey is MGHRIDAMGYNORG-YFHOEESVSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7(3)10-8(12-5-2)6-9(11)13-10/h6H,4-5H2,1-3H3/b10-7-.
What are the key properties of (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one?
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one has a molecular weight of 182.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one is sourced from PubChem (CID 12026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).