5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one

C8H12O4 — CID 165346519

IUPAC5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one
SMILESCCC1(OC)OC(=O)C(O)=C1C
InChIInChI=1S/C8H12O4/c1-4-8(11-3)5(2)6(9)7(10)12-8/h9H,4H2,1-3H3
InChIKeySNVYMEBTFDYXCN-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.13
Rot. Bonds2

About 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one

5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one (PubChem CID 165346519) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one.

Molecular Properties

Compound Name5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one
PubChem CID165346519
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one
SMILESCCC1(OC)OC(=O)C(O)=C1C
InChIInChI=1S/C8H12O4/c1-4-8(11-3)5(2)6(9)7(10)12-8/h9H,4H2,1-3H3
InChIKeySNVYMEBTFDYXCN-UHFFFAOYSA-N
XLogP1.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GlyTouCan:G23138CM
CID 61199
2(5H)-Furanone, 3-hydroxy-4-methyl-5-propyl-
CID 120003
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone, (+)-
CID 5325922
ethyl (E)-2-hydroxy-3-methylpent-2-enoate
CID 134894868
(-)-5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
CID 29921502
2,3-diethyl-4-hydroxy-2H-furan-5-one
CID 13199940
4-hydroxy-3-propyl-2H-furan-5-one
CID 15176651
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one
CID 59444596
Ethyl 2-hydroxy-3-methyl-4-oxohex-2-enoate
CID 72218292
Methyl 3-ethyl-2-hydroxypent-2-enoate
CID 139637597
Methyl 2-hydroxy-3-methylhex-2-enoate
CID 174782491
Ethyl 3-ethyl-2-hydroxyhex-2-enoate
CID 175126242

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one?
The IUPAC name of 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one (CID 165346519) is 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one.
What is the SMILES notation for 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one?
The canonical SMILES for 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one is CCC1(OC)OC(=O)C(O)=C1C.
What is the InChIKey of 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one?
The InChIKey is SNVYMEBTFDYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-8(11-3)5(2)6(9)7(10)12-8/h9H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one?
5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one has a molecular weight of 172.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one is sourced from PubChem (CID 165346519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).