(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene

C23H36O2 — CID 90139121

IUPAC(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene
SMILESCOC1=CC[C@H]2[C@]3(C)OC(C[C@]13CC=C(C)C)[C@@]2(C)CCC=C(C)C
InChIInChI=1S/C23H36O2/c1-16(2)9-8-13-21(5)18-10-11-19(24-7)23(14-12-17(3)4)15-20(21)25-22(18,23)6/h9,11-12,18,20H,8,10,13-15H2,1-7H3/t18-,20?,21+,22+,23-/m1/s1
InChIKeyJLAAQKRJJBSWTP-AWRRLRFUSA-N
MW344.54 g/mol
LogP6.19
Rot. Bonds6

About (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene

(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene (PubChem CID 90139121) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene.

Molecular Properties

Compound Name(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene
PubChem CID90139121
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene
SMILESCOC1=CC[C@H]2[C@]3(C)OC(C[C@]13CC=C(C)C)[C@@]2(C)CCC=C(C)C
InChIInChI=1S/C23H36O2/c1-16(2)9-8-13-21(5)18-10-11-19(24-7)23(14-12-17(3)4)15-20(21)25-22(18,23)6/h9,11-12,18,20H,8,10,13-15H2,1-7H3/t18-,20?,21+,22+,23-/m1/s1
InChIKeyJLAAQKRJJBSWTP-AWRRLRFUSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene with MolForge

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Related Compounds

(3S,7R,8S)-6,8-dimethoxy-2-methyl-7-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-5-en-4-one
CID 71109639
[5-[(2S,3R,7R,8S)-6,8-dimethoxy-2-methyl-7-(3-methylbut-2-enyl)-9-oxatricyclo[5.2.1.03,8]dec-5-en-2-yl]-2-methylpentan-2-yl]oxy-triethylsilane
CID 90123720
[5-[(1R,3R,7R,8S)-6,8-dimethoxy-2-methyl-7-(3-methylbut-2-enyl)-9-oxatricyclo[5.2.1.03,8]dec-5-en-2-yl]-2-methylpentan-2-yl]oxy-triethylsilane
CID 134946882
methyl (1S,3R,4S,8R,9S,10S,12S)-10-chloro-3-hydroxy-9,12-dimethyl-9-(4-methylpent-3-enyl)-2-oxatricyclo[6.3.1.04,12]dodec-5-ene-5-carboxylate
CID 162970635
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one
CID 90139134
(1R,2R,4R,6S,7S)-2,7-dimethyl-7-(4-methylpent-3-enyl)-3-oxatricyclo[4.1.1.02,4]octan-5-one
CID 170988893
(9S)-8-(4,4-dimethylpentyl)-7,9-dihydroxy-4,9-dimethoxy-8-methyl-5-(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-en-2-one
CID 90139149
(1R,4aR,5S,6S,8S,8aS)-6-chloro-8-hydroxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
CID 162888735
(1S,5R,7S,8S)-4-methoxy-7-(methoxymethoxy)-8-methyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3-trimethylsilylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 71499430
(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
CID 163060993
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene?
The IUPAC name of (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene (CID 90139121) is (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene.
What is the SMILES notation for (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene?
The canonical SMILES for (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene is COC1=CC[C@H]2[C@]3(C)OC(C[C@]13CC=C(C)C)[C@@]2(C)CCC=C(C)C.
What is the InChIKey of (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene?
The InChIKey is JLAAQKRJJBSWTP-AWRRLRFUSA-N. The full InChI is InChI=1S/C23H36O2/c1-16(2)9-8-13-21(5)18-10-11-19(24-7)23(14-12-17(3)4)15-20(21)25-22(18,23)6/h9,11-12,18,20H,8,10,13-15H2,1-7H3/t18-,20?,21+,22+,23-/m1/s1.
What are the key properties of (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene?
(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene has a molecular weight of 344.54 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene is sourced from PubChem (CID 90139121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).