1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene

C15H24O2 — CID 5241820

IUPAC1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene
SMILESCC1=CCC(C)(C)C2OC2CC2(C)OC2CC1
InChIInChI=1S/C15H24O2/c1-10-5-6-12-15(4,17-12)9-11-13(16-11)14(2,3)8-7-10/h7,11-13H,5-6,8-9H2,1-4H3
InChIKeyVCIHKOLXNNWKMC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.46
Rot. Bonds

About 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene

1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene (PubChem CID 5241820) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene.

Molecular Properties

Compound Name1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene
PubChem CID5241820
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene
SMILESCC1=CCC(C)(C)C2OC2CC2(C)OC2CC1
InChIInChI=1S/C15H24O2/c1-10-5-6-12-15(4,17-12)9-11-13(16-11)14(2,3)8-7-10/h7,11-13H,5-6,8-9H2,1-4H3
InChIKeyVCIHKOLXNNWKMC-UHFFFAOYSA-N
XLogP3.46
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene?
The IUPAC name of 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene (CID 5241820) is 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene.
What is the SMILES notation for 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene?
The canonical SMILES for 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene is CC1=CCC(C)(C)C2OC2CC2(C)OC2CC1.
What is the InChIKey of 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene?
The InChIKey is VCIHKOLXNNWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-6-12-15(4,17-12)9-11-13(16-11)14(2,3)8-7-10/h7,11-13H,5-6,8-9H2,1-4H3.
What are the key properties of 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene?
1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene has a molecular weight of 236.35 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6,9-tetramethyl-4,13-dioxatricyclo[10.1.0.03,5]tridec-8-ene is sourced from PubChem (CID 5241820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).