2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one

C15H22O4 — CID 25018968

IUPAC2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one
SMILESCC1=C[C@@H](O)C[C@@H](C)[C@]1(C)CCC1=CC(O)OC1=O
InChIInChI=1S/C15H22O4/c1-9-6-12(16)7-10(2)15(9,3)5-4-11-8-13(17)19-14(11)18/h6,8,10,12-13,16-17H,4-5,7H2,1-3H3/t10-,12-,13?,15-/m1/s1
InChIKeyZATJKUHWCNECPY-SMOZSMSJSA-N
MW266.34 g/mol
LogP1.92
Rot. Bonds3

About 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one

2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one (PubChem CID 25018968) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one
PubChem CID25018968
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one
SMILESCC1=C[C@@H](O)C[C@@H](C)[C@]1(C)CCC1=CC(O)OC1=O
InChIInChI=1S/C15H22O4/c1-9-6-12(16)7-10(2)15(9,3)5-4-11-8-13(17)19-14(11)18/h6,8,10,12-13,16-17H,4-5,7H2,1-3H3/t10-,12-,13?,15-/m1/s1
InChIKeyZATJKUHWCNECPY-SMOZSMSJSA-N
XLogP1.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

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16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid
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(1S,4aR,5S,8aR)-5-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 14806205
Dysidiolide
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Coronarin C
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(3aR,6R,7R,8aS)-6-hydroxy-7-isopropyl-4-methoxycarbonyl-3,3a,6,7,8,8a-hexahydroazulene-1-carboxylic acid
CID 10891721
3-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
CID 11438980
Secoeremopetasitolide A
CID 131753122
5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-ethyl}-5H-furan-2-one
CID 10318951
(R)-5-hydroxy-4-(2-((1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)acetyl)furan-2(5H)-one
CID 54587115
Jxclivlczcuojg-caooackpsa-
CID 11338615
3-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)deca-3,7-dienyl]-2-hydroxy-2H-furan-5-one
CID 72188895

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one (CID 25018968) is 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one is CC1=C[C@@H](O)C[C@@H](C)[C@]1(C)CCC1=CC(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one?
The InChIKey is ZATJKUHWCNECPY-SMOZSMSJSA-N. The full InChI is InChI=1S/C15H22O4/c1-9-6-12(16)7-10(2)15(9,3)5-4-11-8-13(17)19-14(11)18/h6,8,10,12-13,16-17H,4-5,7H2,1-3H3/t10-,12-,13?,15-/m1/s1.
What are the key properties of 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one?
2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one has a molecular weight of 266.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[2-[(1S,4S,6R)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-2H-furan-5-one is sourced from PubChem (CID 25018968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).