(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol

C15H20O2 — CID 10421461

IUPAC(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol
SMILESCC1=C[C@@H]2CC(C)(C)[C@H]1C[C@]2(O)c1ccoc1
InChIInChI=1S/C15H20O2/c1-10-6-12-7-14(2,3)13(10)8-15(12,16)11-4-5-17-9-11/h4-6,9,12-13,16H,7-8H2,1-3H3/t12-,13+,15+/m1/s1
InChIKeyPHMBZANOEGZOGY-IPYPFGDCSA-N
MW232.32 g/mol
LogP3.48
Rot. Bonds1

About (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol

(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 10421461) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol
PubChem CID10421461
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol
SMILESCC1=C[C@@H]2CC(C)(C)[C@H]1C[C@]2(O)c1ccoc1
InChIInChI=1S/C15H20O2/c1-10-6-12-7-14(2,3)13(10)8-15(12,16)11-4-5-17-9-11/h4-6,9,12-13,16H,7-8H2,1-3H3/t12-,13+,15+/m1/s1
InChIKeyPHMBZANOEGZOGY-IPYPFGDCSA-N
XLogP3.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol with MolForge

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Related Compounds

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CID 15196231
3-(furan-3-yl)-2-methyloxolan-3-ol
CID 82719090
1-(furan-3-yl)-2-methoxycyclohexan-1-ol
CID 106873777
1-(furan-3-yl)cyclopentan-1-ol
CID 63949570
3-(furan-3-yl)-3-methylcyclopentan-1-amine
CID 116538755
(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol
CID 10106081
2-(furan-3-yl)-2-methylpyrrolidine
CID 66465313
3-amino-1-(furan-3-yl)cyclohexan-1-ol
CID 80561335
3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol
CID 79927740
1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one
CID 91753128
ethyl (1R,2S,4S)-2-(furan-3-yl)-2,4-dihydroxy-5-methylidenecyclohexane-1-carboxylate
CID 102069340
3-(furan-3-yl)-1-methylpyrrolidin-3-ol
CID 63947516

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol (CID 10421461) is (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol is CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@]2(O)c1ccoc1.
What is the InChIKey of (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is PHMBZANOEGZOGY-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-6-12-7-14(2,3)13(10)8-15(12,16)11-4-5-17-9-11/h4-6,9,12-13,16H,7-8H2,1-3H3/t12-,13+,15+/m1/s1.
What are the key properties of (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol?
(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 232.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 10421461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).