4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane

C15H26O5 — CID 162784704

IUPAC4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
SMILESCC(C)C1OC2COC(C)(C)OC2C2OC(C)(C)OC12
InChIInChI=1S/C15H26O5/c1-8(2)10-12-13(20-15(5,6)19-12)11-9(17-10)7-16-14(3,4)18-11/h8-13H,7H2,1-6H3
InChIKeyJEFINWIZSUZPJH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.08
Rot. Bonds1

About 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane

4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane (PubChem CID 162784704) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane.

Molecular Properties

Compound Name4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
PubChem CID162784704
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
SMILESCC(C)C1OC2COC(C)(C)OC2C2OC(C)(C)OC12
InChIInChI=1S/C15H26O5/c1-8(2)10-12-13(20-15(5,6)19-12)11-9(17-10)7-16-14(3,4)18-11/h8-13H,7H2,1-6H3
InChIKeyJEFINWIZSUZPJH-UHFFFAOYSA-N
XLogP2.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The IUPAC name of 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane (CID 162784704) is 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane.
What is the SMILES notation for 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The canonical SMILES for 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane is CC(C)C1OC2COC(C)(C)OC2C2OC(C)(C)OC12.
What is the InChIKey of 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
The InChIKey is JEFINWIZSUZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-8(2)10-12-13(20-15(5,6)19-12)11-9(17-10)7-16-14(3,4)18-11/h8-13H,7H2,1-6H3.
What are the key properties of 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane?
4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane has a molecular weight of 286.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,12,12-tetramethyl-7-propan-2-yl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane is sourced from PubChem (CID 162784704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).