3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one

C17H24O4 — CID 162860169

IUPAC3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
SMILESCCOC12CC34OC3CCC(C)C4(C)CC1=C(C)C(=O)O2
InChIInChI=1S/C17H24O4/c1-5-19-17-9-16-13(20-16)7-6-10(2)15(16,4)8-12(17)11(3)14(18)21-17/h10,13H,5-9H2,1-4H3
InChIKeyWBCUBYSFPZJBSU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.96
Rot. Bonds2

About 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one

3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one (PubChem CID 162860169) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one.

Molecular Properties

Compound Name3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
PubChem CID162860169
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
SMILESCCOC12CC34OC3CCC(C)C4(C)CC1=C(C)C(=O)O2
InChIInChI=1S/C17H24O4/c1-5-19-17-9-16-13(20-16)7-6-10(2)15(16,4)8-12(17)11(3)14(18)21-17/h10,13H,5-9H2,1-4H3
InChIKeyWBCUBYSFPZJBSU-UHFFFAOYSA-N
XLogP2.96
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The IUPAC name of 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one (CID 162860169) is 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one.
What is the SMILES notation for 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The canonical SMILES for 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one is CCOC12CC34OC3CCC(C)C4(C)CC1=C(C)C(=O)O2.
What is the InChIKey of 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The InChIKey is WBCUBYSFPZJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-19-17-9-16-13(20-16)7-6-10(2)15(16,4)8-12(17)11(3)14(18)21-17/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one has a molecular weight of 292.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one is sourced from PubChem (CID 162860169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).