7-methyl-1,4,7-dioxazecane

C8H17NO2 — CID 59020799

IUPAC7-methyl-1,4,7-dioxazecane
SMILESCN1CCCOCCOCC1
InChIInChI=1S/C8H17NO2/c1-9-3-2-5-10-7-8-11-6-4-9/h2-8H2,1H3
InChIKeyYXRKHJDPIARPLP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.36
Rot. Bonds

About 7-methyl-1,4,7-dioxazecane

7-methyl-1,4,7-dioxazecane (PubChem CID 59020799) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-methyl-1,4,7-dioxazecane.

Molecular Properties

Compound Name7-methyl-1,4,7-dioxazecane
PubChem CID59020799
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name7-methyl-1,4,7-dioxazecane
SMILESCN1CCCOCCOCC1
InChIInChI=1S/C8H17NO2/c1-9-3-2-5-10-7-8-11-6-4-9/h2-8H2,1H3
InChIKeyYXRKHJDPIARPLP-UHFFFAOYSA-N
XLogP0.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4,7-dioxazecane?
The IUPAC name of 7-methyl-1,4,7-dioxazecane (CID 59020799) is 7-methyl-1,4,7-dioxazecane.
What is the SMILES notation for 7-methyl-1,4,7-dioxazecane?
The canonical SMILES for 7-methyl-1,4,7-dioxazecane is CN1CCCOCCOCC1.
What is the InChIKey of 7-methyl-1,4,7-dioxazecane?
The InChIKey is YXRKHJDPIARPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-3-2-5-10-7-8-11-6-4-9/h2-8H2,1H3.
What are the key properties of 7-methyl-1,4,7-dioxazecane?
7-methyl-1,4,7-dioxazecane has a molecular weight of 159.23 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4,7-dioxazecane is sourced from PubChem (CID 59020799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).