10-methyl-1,4,7-trioxa-10-azacyclododecane

C9H19NO3 — CID 766193

IUPAC10-methyl-1,4,7-trioxa-10-azacyclododecane
SMILESCN1CCOCCOCCOCC1
InChIInChI=1S/C9H19NO3/c1-10-2-4-11-6-8-13-9-7-12-5-3-10/h2-9H2,1H3
InChIKeyCRKQPRYMKJWTCX-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.02
Rot. Bonds

About 10-methyl-1,4,7-trioxa-10-azacyclododecane

10-methyl-1,4,7-trioxa-10-azacyclododecane (PubChem CID 766193) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 10-methyl-1,4,7-trioxa-10-azacyclododecane.

Molecular Properties

Compound Name10-methyl-1,4,7-trioxa-10-azacyclododecane
PubChem CID766193
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name10-methyl-1,4,7-trioxa-10-azacyclododecane
SMILESCN1CCOCCOCCOCC1
InChIInChI=1S/C9H19NO3/c1-10-2-4-11-6-8-13-9-7-12-5-3-10/h2-9H2,1H3
InChIKeyCRKQPRYMKJWTCX-UHFFFAOYSA-N
XLogP-0.02
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,4,7-trioxa-10-azacyclododecane?
The IUPAC name of 10-methyl-1,4,7-trioxa-10-azacyclododecane (CID 766193) is 10-methyl-1,4,7-trioxa-10-azacyclododecane.
What is the SMILES notation for 10-methyl-1,4,7-trioxa-10-azacyclododecane?
The canonical SMILES for 10-methyl-1,4,7-trioxa-10-azacyclododecane is CN1CCOCCOCCOCC1.
What is the InChIKey of 10-methyl-1,4,7-trioxa-10-azacyclododecane?
The InChIKey is CRKQPRYMKJWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-10-2-4-11-6-8-13-9-7-12-5-3-10/h2-9H2,1H3.
What are the key properties of 10-methyl-1,4,7-trioxa-10-azacyclododecane?
10-methyl-1,4,7-trioxa-10-azacyclododecane has a molecular weight of 189.25 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,4,7-trioxa-10-azacyclododecane is sourced from PubChem (CID 766193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).