1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane

C17H32O2 — CID 70571344

IUPAC1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane
SMILESCC1CCCCCCCC2OCOCCC2(C)CC1
InChIInChI=1S/C17H32O2/c1-15-8-6-4-3-5-7-9-16-17(2,11-10-15)12-13-18-14-19-16/h15-16H,3-14H2,1-2H3
InChIKeyYLBPOLJZQGOARI-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.92
Rot. Bonds

About 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane

1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane (PubChem CID 70571344) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane.

Molecular Properties

Compound Name1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane
PubChem CID70571344
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane
SMILESCC1CCCCCCCC2OCOCCC2(C)CC1
InChIInChI=1S/C17H32O2/c1-15-8-6-4-3-5-7-9-16-17(2,11-10-15)12-13-18-14-19-16/h15-16H,3-14H2,1-2H3
InChIKeyYLBPOLJZQGOARI-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane?
The IUPAC name of 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane (CID 70571344) is 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane.
What is the SMILES notation for 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane?
The canonical SMILES for 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane is CC1CCCCCCCC2OCOCCC2(C)CC1.
What is the InChIKey of 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane?
The InChIKey is YLBPOLJZQGOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-15-8-6-4-3-5-7-9-16-17(2,11-10-15)12-13-18-14-19-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane?
1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane has a molecular weight of 268.44 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane is sourced from PubChem (CID 70571344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).