(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene

C11H16O2 — CID 143786712

IUPAC(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene
SMILESC[C@H]1CCC2OC3CC=C[C@@]2(C3)O1
InChIInChI=1S/C11H16O2/c1-8-4-5-10-11(13-8)6-2-3-9(7-11)12-10/h2,6,8-10H,3-5,7H2,1H3/t8-,9?,10?,11-/m0/s1
InChIKeyLZVPQIICPRMBTQ-PMUOWJKOSA-N
MW180.25 g/mol
LogP2.04
Rot. Bonds

About (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene

(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene (PubChem CID 143786712) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene.

Molecular Properties

Compound Name(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene
PubChem CID143786712
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene
SMILESC[C@H]1CCC2OC3CC=C[C@@]2(C3)O1
InChIInChI=1S/C11H16O2/c1-8-4-5-10-11(13-8)6-2-3-9(7-11)12-10/h2,6,8-10H,3-5,7H2,1H3/t8-,9?,10?,11-/m0/s1
InChIKeyLZVPQIICPRMBTQ-PMUOWJKOSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene?
The IUPAC name of (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene (CID 143786712) is (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene.
What is the SMILES notation for (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene?
The canonical SMILES for (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene is C[C@H]1CCC2OC3CC=C[C@@]2(C3)O1.
What is the InChIKey of (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene?
The InChIKey is LZVPQIICPRMBTQ-PMUOWJKOSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-5-10-11(13-8)6-2-3-9(7-11)12-10/h2,6,8-10H,3-5,7H2,1H3/t8-,9?,10?,11-/m0/s1.
What are the key properties of (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene?
(1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene has a molecular weight of 180.25 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-ene is sourced from PubChem (CID 143786712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).