10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane

C15H28O — CID 58792654

IUPAC10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane
SMILESCC1CC2COCCCCCC1C(C)C2C
InChIInChI=1S/C15H28O/c1-11-9-14-10-16-8-6-4-5-7-15(11)13(3)12(14)2/h11-15H,4-10H2,1-3H3
InChIKeyBGSIQWKWCVCIOB-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.12
Rot. Bonds

About 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane

10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane (PubChem CID 58792654) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane.

Molecular Properties

Compound Name10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane
PubChem CID58792654
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane
SMILESCC1CC2COCCCCCC1C(C)C2C
InChIInChI=1S/C15H28O/c1-11-9-14-10-16-8-6-4-5-7-15(11)13(3)12(14)2/h11-15H,4-10H2,1-3H3
InChIKeyBGSIQWKWCVCIOB-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane?
The IUPAC name of 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane (CID 58792654) is 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane.
What is the SMILES notation for 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane?
The canonical SMILES for 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane is CC1CC2COCCCCCC1C(C)C2C.
What is the InChIKey of 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane?
The InChIKey is BGSIQWKWCVCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11-9-14-10-16-8-6-4-5-7-15(11)13(3)12(14)2/h11-15H,4-10H2,1-3H3.
What are the key properties of 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane?
10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane has a molecular weight of 224.39 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,13-trimethyl-3-oxabicyclo[7.2.2]tridecane is sourced from PubChem (CID 58792654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).