(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C16H20O3 — CID 56957842

IUPAC(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESC=C[C@@]12C[C@@H](Oc3cc(C)c(OC)cc31)C(C)(C)O2
InChIInChI=1S/C16H20O3/c1-6-16-9-14(15(3,4)19-16)18-13-7-10(2)12(17-5)8-11(13)16/h6-8,14H,1,9H2,2-5H3/t14-,16-/m1/s1
InChIKeyHKIHNZSWZKDOJJ-GDBMZVCRSA-N
MW260.33 g/mol
LogP3.34
Rot. Bonds2

About (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 56957842) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID56957842
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESC=C[C@@]12C[C@@H](Oc3cc(C)c(OC)cc31)C(C)(C)O2
InChIInChI=1S/C16H20O3/c1-6-16-9-14(15(3,4)19-16)18-13-7-10(2)12(17-5)8-11(13)16/h6-8,14H,1,9H2,2-5H3/t14-,16-/m1/s1
InChIKeyHKIHNZSWZKDOJJ-GDBMZVCRSA-N
XLogP3.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 56957842) is (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is C=C[C@@]12C[C@@H](Oc3cc(C)c(OC)cc31)C(C)(C)O2.
What is the InChIKey of (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is HKIHNZSWZKDOJJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H20O3/c1-6-16-9-14(15(3,4)19-16)18-13-7-10(2)12(17-5)8-11(13)16/h6-8,14H,1,9H2,2-5H3/t14-,16-/m1/s1.
What are the key properties of (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 260.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-1-ethenyl-4-methoxy-5,10,10-trimethyl-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 56957842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).