10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C13H16O3 — CID 85288053

IUPAC10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESC=CC1C2C=C(C)C3C1COC3(OC)C2=O
InChIInChI=1S/C13H16O3/c1-4-8-9-5-7(2)11-10(8)6-16-13(11,15-3)12(9)14/h4-5,8-11H,1,6H2,2-3H3
InChIKeyJNOBDWWTJZHKQN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds2

About 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 85288053) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID85288053
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESC=CC1C2C=C(C)C3C1COC3(OC)C2=O
InChIInChI=1S/C13H16O3/c1-4-8-9-5-7(2)11-10(8)6-16-13(11,15-3)12(9)14/h4-5,8-11H,1,6H2,2-3H3
InChIKeyJNOBDWWTJZHKQN-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 85288053) is 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is C=CC1C2C=C(C)C3C1COC3(OC)C2=O.
What is the InChIKey of 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is JNOBDWWTJZHKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-8-9-5-7(2)11-10(8)6-16-13(11,15-3)12(9)14/h4-5,8-11H,1,6H2,2-3H3.
What are the key properties of 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 85288053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).