(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene

C15H22O — CID 10353343

IUPAC(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene
SMILESC=C1CC[C@@H]2O[C@H]3CC(C)C=C[C@]13C2(C)C
InChIInChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(14(15,3)4)16-13(15)9-10/h7-8,10,12-13H,2,5-6,9H2,1,3-4H3/t10?,12-,13-,15-/m0/s1
InChIKeyKTPZOXVQLFOXJB-VPFVFLMUSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds

About (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene

(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene (PubChem CID 10353343) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene.

Molecular Properties

Compound Name(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene
PubChem CID10353343
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene
SMILESC=C1CC[C@@H]2O[C@H]3CC(C)C=C[C@]13C2(C)C
InChIInChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(14(15,3)4)16-13(15)9-10/h7-8,10,12-13H,2,5-6,9H2,1,3-4H3/t10?,12-,13-,15-/m0/s1
InChIKeyKTPZOXVQLFOXJB-VPFVFLMUSA-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'}

Analyze (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene with MolForge

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Related Compounds

(1R,3S,4S,6R,8S)-3-bromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodecane
CID 162848416
(4R)-4-iodo-3,3,6-trimethylcyclohexene
CID 135216905
7-methyl-2-methylidene-3,4,4a,7,8,8a-hexahydrochromene
CID 89099143
(3S,8S,9aS)-3,5,5,8-tetramethyl-1,2,3,8,9,9a-hexahydrocyclopenta[8]annulene
CID 95565248
2,6,6,7-tetramethyl-10-methylidene-1-oxaspiro[4.5]decane
CID 154173726
2,5-dimethyl-2-[3-methyl-3-(4-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]cyclohex-3-ene-1-thiol
CID 89394764
(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene
CID 147683657
2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
CID 12616171
(1S,4S,9S)-4-[(3Z)-hepta-3,6-dien-3-yl]-1,5-dimethyl-6-methylidene-10-oxabicyclo[7.1.0]decane
CID 90345902
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 130992158
(2R,4aS)-2,4a-dimethyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 143295231

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene?
The IUPAC name of (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene (CID 10353343) is (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene.
What is the SMILES notation for (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene?
The canonical SMILES for (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene is C=C1CC[C@@H]2O[C@H]3CC(C)C=C[C@]13C2(C)C.
What is the InChIKey of (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene?
The InChIKey is KTPZOXVQLFOXJB-VPFVFLMUSA-N. The full InChI is InChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(14(15,3)4)16-13(15)9-10/h7-8,10,12-13H,2,5-6,9H2,1,3-4H3/t10?,12-,13-,15-/m0/s1.
What are the key properties of (1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene?
(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-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,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene is sourced from PubChem (CID 10353343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).