6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane

C22H34O2 — CID 143869413

IUPAC6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane
SMILESCC.CC1C=CC2=CC3=C(OCC(C(C)(C)C)CO3)C(C)C2C=C1
InChIInChI=1S/C20H28O2.C2H6/c1-13-6-8-15-10-18-19(14(2)17(15)9-7-13)22-12-16(11-21-18)20(3,4)5;1-2/h6-10,13-14,16-17H,11-12H2,1-5H3;1-2H3
InChIKeyBODPJMXQNGWRTA-UHFFFAOYSA-N
MW330.51 g/mol
LogP5.89
Rot. Bonds

About 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane

6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane (PubChem CID 143869413) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane.

Molecular Properties

Compound Name6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane
PubChem CID143869413
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane
SMILESCC.CC1C=CC2=CC3=C(OCC(C(C)(C)C)CO3)C(C)C2C=C1
InChIInChI=1S/C20H28O2.C2H6/c1-13-6-8-15-10-18-19(14(2)17(15)9-7-13)22-12-16(11-21-18)20(3,4)5;1-2/h6-10,13-14,16-17H,11-12H2,1-5H3;1-2H3
InChIKeyBODPJMXQNGWRTA-UHFFFAOYSA-N
XLogP5.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane?
The IUPAC name of 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane (CID 143869413) is 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane.
What is the SMILES notation for 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane?
The canonical SMILES for 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane is CC.CC1C=CC2=CC3=C(OCC(C(C)(C)C)CO3)C(C)C2C=C1.
What is the InChIKey of 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane?
The InChIKey is BODPJMXQNGWRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2.C2H6/c1-13-6-8-15-10-18-19(14(2)17(15)9-7-13)22-12-16(11-21-18)20(3,4)5;1-2/h6-10,13-14,16-17H,11-12H2,1-5H3;1-2H3.
What are the key properties of 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane?
6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane has a molecular weight of 330.51 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-10,14-dimethyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),12,15-tetraene;ethane is sourced from PubChem (CID 143869413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).