(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene

C14H22O — CID 163022057

IUPAC(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene
SMILESCC1(C)[C@@H]2CC[C@@]3(C)O[C@H]3CC/C=C\[C@@H]21
InChIInChI=1S/C14H22O/c1-13(2)10-6-4-5-7-12-14(3,15-12)9-8-11(10)13/h4,6,10-12H,5,7-9H2,1-3H3/b6-4-/t10-,11+,12-,14+/m0/s1
InChIKeySGNHFLIRMDBALK-NTSOVDCRSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds

About (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene

(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene (PubChem CID 163022057) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene.

Molecular Properties

Compound Name(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene
PubChem CID163022057
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene
SMILESCC1(C)[C@@H]2CC[C@@]3(C)O[C@H]3CC/C=C\[C@@H]21
InChIInChI=1S/C14H22O/c1-13(2)10-6-4-5-7-12-14(3,15-12)9-8-11(10)13/h4,6,10-12H,5,7-9H2,1-3H3/b6-4-/t10-,11+,12-,14+/m0/s1
InChIKeySGNHFLIRMDBALK-NTSOVDCRSA-N
XLogP3.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-
CID 6441804
Madolin C
CID 10726986
(1S,2S,5S,7S,11S)-2,5-dimethyl-10-methylidene-2-(4-methylpent-3-enyl)-6-oxatricyclo[9.1.0.05,7]dodecane
CID 16744478
2,5-Dimethyl-10-methylidene-2-(4-methylpent-3-enyl)-6-oxatricyclo[9.1.0.05,7]dodecane
CID 73319130
(3S)-2,2-dimethyl-3-[(3S)-3-[(1R)-4-methylidenecyclohex-2-en-1-yl]butyl]oxirane
CID 162918214
(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
CID 162995419
(1S,2S,5Z,9R,10S)-9-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2,6,9-trimethylbicyclo[8.1.0]undec-5-en-2-ol
CID 163033123
(1R,2R,5E,9S,10R)-9-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2,6,9-trimethylbicyclo[8.1.0]undec-5-en-2-ol
CID 163033124
(1S,2S,5E,9R,10S)-9-[2-(3,3-dimethyloxiran-2-yl)ethyl]-2,6,9-trimethylbicyclo[8.1.0]undec-5-en-2-ol
CID 16744476
(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene
CID 643670
(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
CID 134964267
(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene
CID 137300531

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene?
The IUPAC name of (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene (CID 163022057) is (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene.
What is the SMILES notation for (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene?
The canonical SMILES for (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene is CC1(C)[C@@H]2CC[C@@]3(C)O[C@H]3CC/C=C\[C@@H]21.
What is the InChIKey of (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene?
The InChIKey is SGNHFLIRMDBALK-NTSOVDCRSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2)10-6-4-5-7-12-14(3,15-12)9-8-11(10)13/h4,6,10-12H,5,7-9H2,1-3H3/b6-4-/t10-,11+,12-,14+/m0/s1.
What are the key properties of (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene?
(1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene has a molecular weight of 206.33 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S,9Z,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene is sourced from PubChem (CID 163022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).