3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene

C20H30O2 — CID 73179460

IUPAC3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
SMILESCC1=CCCC2(C)OC2CCC(C)=CC2OCC(C)=C2CC1
InChIInChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3
InChIKeyOQGXDKRHMBRZCS-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.11
Rot. Bonds

About 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene

3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene (PubChem CID 73179460) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene.

Molecular Properties

Compound Name3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
PubChem CID73179460
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
SMILESCC1=CCCC2(C)OC2CCC(C)=CC2OCC(C)=C2CC1
InChIInChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3
InChIKeyOQGXDKRHMBRZCS-UHFFFAOYSA-N
XLogP5.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene with MolForge

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Related Compounds

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Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
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13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
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CID 122515
(1R,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
CID 13245417
Juvenile Hormone II
CID 5459796
Isosarcophytoxide
CID 6475698
(1R,2E,6S,8S,10S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-10-ol
CID 11844358
(1R,2E,6S,8S,11E,14S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-14-ol
CID 11844490

Frequently Asked Questions

What is the IUPAC name of 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene?
The IUPAC name of 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene (CID 73179460) is 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene.
What is the SMILES notation for 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene?
The canonical SMILES for 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene is CC1=CCCC2(C)OC2CCC(C)=CC2OCC(C)=C2CC1.
What is the InChIKey of 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene?
The InChIKey is OQGXDKRHMBRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3.
What are the key properties of 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene?
3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene has a molecular weight of 302.46 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene is sourced from PubChem (CID 73179460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).