(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene

C15H22O — CID 15227484

IUPAC(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
SMILESC=C1[C@H]2CC=C(C)[C@@H]2C[C@@H]2C[C@H]1OC2(C)C
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyUCHRRMWFDLTRHF-YIYPIFLZSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds

About (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene

(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene (PubChem CID 15227484) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene.

Molecular Properties

Compound Name(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
PubChem CID15227484
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
SMILESC=C1[C@H]2CC=C(C)[C@@H]2C[C@@H]2C[C@H]1OC2(C)C
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyUCHRRMWFDLTRHF-YIYPIFLZSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S,9S)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 21579279
(1S,5S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
CID 21579280
(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 162993842
(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
CID 163046295
7,10-Epoxy-2,6,10-trimethyldodeca-2,11-diene
CID 129845801
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl)
CID 527239
6,11-Epoxyguaia-4,9-diene
CID 91747443
2,2,6,9-Tetramethyl-3,4,6a,7-tetrahydro-2H-3,9a-methanocyclopent[b]oxocine
CID 91749749
2,2,9-Trimethyl-6-methylene-3,4,5,6,6a,7-hexahydro-2H-3,9a-methanocyclopent[b]oxocine
CID 91749750
1,4-Dimethyl-2,4,5,6,7,8-hexahydro-3H-3a,6-epoxyazulene
CID 21434895
3a,6-Epoxy-7-isopropyl-1,4-dimethyl-2,3,3a,4,5,6,7,8-octahydroazulene
CID 21434903

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The IUPAC name of (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene (CID 15227484) is (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene.
What is the SMILES notation for (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The canonical SMILES for (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene is C=C1[C@H]2CC=C(C)[C@@H]2C[C@@H]2C[C@H]1OC2(C)C.
What is the InChIKey of (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The InChIKey is UCHRRMWFDLTRHF-YIYPIFLZSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene has a molecular weight of 218.34 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene is sourced from PubChem (CID 15227484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).