(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene

C15H24O — CID 15511532

IUPAC(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene
SMILESCC1=C[C@H]2[C@@H](C(C)C)CC[C@]3(C)O[C@H]1C[C@H]23
InChIInChI=1S/C15H24O/c1-9(2)11-5-6-15(4)13-8-14(16-15)10(3)7-12(11)13/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1
InChIKeyAGSIUJRIZJSXEN-SEBNEYGDSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene

(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene (PubChem CID 15511532) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene.

Molecular Properties

Compound Name(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene
PubChem CID15511532
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene
SMILESCC1=C[C@H]2[C@@H](C(C)C)CC[C@]3(C)O[C@H]1C[C@H]23
InChIInChI=1S/C15H24O/c1-9(2)11-5-6-15(4)13-8-14(16-15)10(3)7-12(11)13/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1
InChIKeyAGSIUJRIZJSXEN-SEBNEYGDSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene with MolForge

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Related Compounds

Arenaran A
CID 10376280
alpha-Agarofuran
CID 10857022
(3R,5aS,9aR)-2,2,5a,9-Tetramethyl-3,4,5,5a,6,7-hexahydro-2H-3,9a-methanobenzo[b]oxepine
CID 527157
(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 5316722
2H-Cyclopropa[g]benzofuran, 4,5,5a,6,6a,6b-hexahydro-4,4,6b-trimethyl-2-(1-methylethenyl)-
CID 608879
cis-Cadinene ether
CID 162969157
trans-Cadinene ether
CID 163190980
2,4,5,5,8a-Pentamethyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
CID 573147
alpha-Agarofurane
CID 6428321
(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene
CID 3086472
11,12-Dihydroxylentideusether
CID 156582480
Eutypeterpene M
CID 170988910

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene?
The IUPAC name of (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene (CID 15511532) is (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene.
What is the SMILES notation for (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene?
The canonical SMILES for (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene is CC1=C[C@H]2[C@@H](C(C)C)CC[C@]3(C)O[C@H]1C[C@H]23.
What is the InChIKey of (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene?
The InChIKey is AGSIUJRIZJSXEN-SEBNEYGDSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)11-5-6-15(4)13-8-14(16-15)10(3)7-12(11)13/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1.
What are the key properties of (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene?
(1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,8S,9R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-ene is sourced from PubChem (CID 15511532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).