6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol

C20H30O5 — CID 85274643

IUPAC6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol
SMILESCC1CC(O)C23COC2(CO)CCCC3C1(C)CC(O)c1ccoc1
InChIInChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyQTKUKPZFMJWCPE-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.66
Rot. Bonds4

About 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol

6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol (PubChem CID 85274643) has the molecular formula C20H30O5 and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol.

Molecular Properties

Compound Name6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol
PubChem CID85274643
Molecular FormulaC20H30O5
Molecular Weight350.45 g/mol
Exact Mass350.21
IUPAC Name6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol
SMILESCC1CC(O)C23COC2(CO)CCCC3C1(C)CC(O)c1ccoc1
InChIInChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyQTKUKPZFMJWCPE-UHFFFAOYSA-N
XLogP2.66
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol with MolForge

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Related Compounds

7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol
CID 85224778
7-[2-(furan-3-yl)-2-hydroxyethyl]-3,11-dihydroxy-13-methylspiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-8-one
CID 75216004
[(1R,3S,4R,4aS,5S,7S,8R,8aR)-8-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3,5-dihydroxy-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] acetate
CID 162965851
[(3S,4R,4aR,5S,7R,8S,8aR)-8-[2-acetyloxy-2-(furan-3-yl)ethyl]-3,5-dihydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
CID 15109174
(2aR,4S,5'S,5aS,6S,7S,9R,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one
CID 163021247
(1R,3S,4aR,5R,6R,8aR)-6-(carboxymethyl)-5-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-hydroxy-5,8a-dimethyl-4-oxo-2,3,4a,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid
CID 68625765
1-[2-(furan-3-yl)-2-hydroxyethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14845525
(1'S,2R,3'R,4R,4'S,4'aR,8'aS)-4'-[2-(furan-3-yl)ethyl]-2,3',4',8'a-tetramethylspiro[1,3-dioxolane-4,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]-1',2-diol
CID 168679656
dimethyl (1R,3S,4aS,5R,6R,8aR)-5-[2-(furan-3-yl)-2-hydroxyethyl]-3-hydroxy-5,8a-dimethyl-4-oxo-2,3,4a,6,7,8-hexahydro-1H-naphthalene-1,6-dicarboxylate
CID 24823484
[9-[2-(furan-3-yl)-2-hydroxyethyl]-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.04,12]dodec-4-en-7-yl] acetate
CID 162869153
[(1S)-2-[(1R,2R,6S,7S,8R,11R,13S)-8,11-dihydroxy-13-methyl-12-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-7-yl]-1-(furan-3-yl)ethyl] acetate
CID 162915275
(2S,3S,3aR,5aS,9aS,9bR)-3-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde
CID 11326641

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol?
The IUPAC name of 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol (CID 85274643) is 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol.
What is the SMILES notation for 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol?
The canonical SMILES for 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol is CC1CC(O)C23COC2(CO)CCCC3C1(C)CC(O)c1ccoc1.
What is the InChIKey of 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol?
The InChIKey is QTKUKPZFMJWCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol?
6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol has a molecular weight of 350.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-3-yl)-2-hydroxyethyl]-2a-(hydroxymethyl)-6,7-dimethyl-1,3,4,5,5a,7,8,9-octahydronaphtho[8,8a-b]oxet-9-ol is sourced from PubChem (CID 85274643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).