5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene

C13H20O — CID 90793269

IUPAC5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene
SMILESCCOC1(C)C=C2CC3CC(CC23)C1
InChIInChI=1S/C13H20O/c1-3-14-13(2)7-9-4-10-6-11(8-13)12(10)5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyLCWNJJYMKUHRDJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds2

About 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene

5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene (PubChem CID 90793269) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene.

Molecular Properties

Compound Name5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene
PubChem CID90793269
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene
SMILESCCOC1(C)C=C2CC3CC(CC23)C1
InChIInChI=1S/C13H20O/c1-3-14-13(2)7-9-4-10-6-11(8-13)12(10)5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyLCWNJJYMKUHRDJ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene?
The IUPAC name of 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene (CID 90793269) is 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene.
What is the SMILES notation for 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene?
The canonical SMILES for 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene is CCOC1(C)C=C2CC3CC(CC23)C1.
What is the InChIKey of 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene?
The InChIKey is LCWNJJYMKUHRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-14-13(2)7-9-4-10-6-11(8-13)12(10)5-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene?
5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene has a molecular weight of 192.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-methyltricyclo[5.2.1.03,9]dec-3-ene is sourced from PubChem (CID 90793269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).