6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one

C15H20O2 — CID 162896194

IUPAC6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one
SMILESC=C(C)C1CCC2=C3C(CC(C)C3C1)OC2=O
InChIInChI=1S/C15H20O2/c1-8(2)10-4-5-11-14-12(7-10)9(3)6-13(14)17-15(11)16/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyBSRYHIYUENCLOJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.24
Rot. Bonds1

About 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one

6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one (PubChem CID 162896194) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one.

Molecular Properties

Compound Name6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one
PubChem CID162896194
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one
SMILESC=C(C)C1CCC2=C3C(CC(C)C3C1)OC2=O
InChIInChI=1S/C15H20O2/c1-8(2)10-4-5-11-14-12(7-10)9(3)6-13(14)17-15(11)16/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyBSRYHIYUENCLOJ-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one with MolForge

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Related Compounds

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CID 89486334
(1S,3aE,8R,9aS)-1,4-dimethyl-8-prop-1-en-2-yl-1,2,3,6,7,8,9,9a-octahydrocyclopenta[8]annulen-5-one
CID 162825637
4-methyl-6-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
CID 154134033
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
(3R,4S,4aR,6R)-3-hydroxy-4-methyl-6-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 163190831
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CID 10773721
(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one
CID 11521602
cis-(2S,4R)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 6431189
acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
CID 170839757
(5R)-5-prop-1-en-2-ylpiperidin-2-one
CID 89476530
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.2.0]octan-8-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one?
The IUPAC name of 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one (CID 162896194) is 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one.
What is the SMILES notation for 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one?
The canonical SMILES for 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one is C=C(C)C1CCC2=C3C(CC(C)C3C1)OC2=O.
What is the InChIKey of 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one?
The InChIKey is BSRYHIYUENCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-8(2)10-4-5-11-14-12(7-10)9(3)6-13(14)17-15(11)16/h9-10,12-13H,1,4-7H2,2-3H3.
What are the key properties of 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one?
6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one is sourced from PubChem (CID 162896194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).