2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one

C19H32O3 — CID 163155721

IUPAC2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
SMILESCCC(C)CC(C)CC(C)C=C(C)C1=CC(=O)C(O)(CC)O1
InChIInChI=1S/C19H32O3/c1-7-13(3)9-14(4)10-15(5)11-16(6)17-12-18(20)19(21,8-2)22-17/h11-15,21H,7-10H2,1-6H3
InChIKeyPAKCBQUQPXFYFI-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.61
Rot. Bonds8

About 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one

2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one (PubChem CID 163155721) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
PubChem CID163155721
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
SMILESCCC(C)CC(C)CC(C)C=C(C)C1=CC(=O)C(O)(CC)O1
InChIInChI=1S/C19H32O3/c1-7-13(3)9-14(4)10-15(5)11-16(6)17-12-18(20)19(21,8-2)22-17/h11-15,21H,7-10H2,1-6H3
InChIKeyPAKCBQUQPXFYFI-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,4-dimethyl-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
CID 74051516
4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
CID 90662535
(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
CID 139373069
4-hydroxy-3,5-dimethyl-6-[(E,6R)-4,6,8-trimethylundec-2-en-2-yl]pyran-2-one
CID 54679368
2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 10757069
(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene
CID 10913328
(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal
CID 132992266
(1S,2R,5R,6R,8R,11R)-2-[(E,3R,5R)-3,5-dimethylhept-1-enyl]-5,11-dihydroxy-8-methyl-7,9-dioxatricyclo[6.2.1.01,6]undec-3-en-10-one
CID 163066198
(1R,4S,5R)-4-hydroxy-4-propan-2-yl-1-[(2E,4E,6E,8E,10R,12R)-8,10,12-trimethyltetradeca-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 177433531
(E)-4,6-dimethyloct-2-enal
CID 87291596
3,5-dimethylheptane;ethane
CID 172617343
(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
CID 101374149

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one?
The IUPAC name of 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one (CID 163155721) is 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one?
The canonical SMILES for 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one is CCC(C)CC(C)CC(C)C=C(C)C1=CC(=O)C(O)(CC)O1.
What is the InChIKey of 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one?
The InChIKey is PAKCBQUQPXFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-7-13(3)9-14(4)10-15(5)11-16(6)17-12-18(20)19(21,8-2)22-17/h11-15,21H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one?
2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one has a molecular weight of 308.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one is sourced from PubChem (CID 163155721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).