2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one

C17H28O3 — CID 162814934

IUPAC2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(CC)O1
InChIInChI=1S/C17H28O3/c1-6-12(7-2)11-14-15(13(8-3)9-4)20-17(19,10-5)16(14)18/h8,12,19H,6-7,9-11H2,1-5H3
InChIKeyIVLRLNXBYCZYPV-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.12
Rot. Bonds7

About 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one

2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one (PubChem CID 162814934) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one
PubChem CID162814934
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(CC)O1
InChIInChI=1S/C17H28O3/c1-6-12(7-2)11-14-15(13(8-3)9-4)20-17(19,10-5)16(14)18/h8,12,19H,6-7,9-11H2,1-5H3
InChIKeyIVLRLNXBYCZYPV-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 9996262
Scopranone A
CID 132609428
Scopranone Beta
CID 139591105
Scopranone C
CID 139591106
(2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,7E,10S,12S)-4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl]furan-3-one
CID 162903777
(2R)-2-hydroxy-2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 163001531
(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 163001532
(4E,6S,8E,10R,14S,15aS)-10-hydroperoxy-6,15a-dihydroxy-3,6,10,14-tetramethyl-11,12,13,14-tetrahydro-7H-cyclotetradeca[b]furan-2,15-dione
CID 163029508
2-hydroxy-2,4-dimethyl-5-[(2Z,4E,6R,8R)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 138983637
2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-[(E)-pent-2-en-3-yl]uran-3-one
CID 162814935
(2S)-2-hydroxy-2,4-dimethyl-5-[(6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 162933168
(2S)-2-hydroxy-2,4-dimethyl-5-[(2Z,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 163186831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one?
The IUPAC name of 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one (CID 162814934) is 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one?
The canonical SMILES for 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one is CC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(CC)O1.
What is the InChIKey of 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one?
The InChIKey is IVLRLNXBYCZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-6-12(7-2)11-14-15(13(8-3)9-4)20-17(19,10-5)16(14)18/h8,12,19H,6-7,9-11H2,1-5H3.
What are the key properties of 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one?
2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one has a molecular weight of 280.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one is sourced from PubChem (CID 162814934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).