11-octyl-1,4,7-trioxa-11-azacyclotetradecane

C18H37NO3 — CID 102329725

IUPAC11-octyl-1,4,7-trioxa-11-azacyclotetradecane
SMILESCCCCCCCCN1CCCOCCOCCOCCC1
InChIInChI=1S/C18H37NO3/c1-2-3-4-5-6-7-10-19-11-8-13-20-15-17-22-18-16-21-14-9-12-19/h2-18H2,1H3
InChIKeyVMGVKFJSTGXRPP-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.49
Rot. Bonds7

About 11-octyl-1,4,7-trioxa-11-azacyclotetradecane

11-octyl-1,4,7-trioxa-11-azacyclotetradecane (PubChem CID 102329725) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 11-octyl-1,4,7-trioxa-11-azacyclotetradecane.

Molecular Properties

Compound Name11-octyl-1,4,7-trioxa-11-azacyclotetradecane
PubChem CID102329725
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Name11-octyl-1,4,7-trioxa-11-azacyclotetradecane
SMILESCCCCCCCCN1CCCOCCOCCOCCC1
InChIInChI=1S/C18H37NO3/c1-2-3-4-5-6-7-10-19-11-8-13-20-15-17-22-18-16-21-14-9-12-19/h2-18H2,1H3
InChIKeyVMGVKFJSTGXRPP-UHFFFAOYSA-N
XLogP3.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-octyl-1,4,7-trioxa-11-azacyclotetradecane?
The IUPAC name of 11-octyl-1,4,7-trioxa-11-azacyclotetradecane (CID 102329725) is 11-octyl-1,4,7-trioxa-11-azacyclotetradecane.
What is the SMILES notation for 11-octyl-1,4,7-trioxa-11-azacyclotetradecane?
The canonical SMILES for 11-octyl-1,4,7-trioxa-11-azacyclotetradecane is CCCCCCCCN1CCCOCCOCCOCCC1.
What is the InChIKey of 11-octyl-1,4,7-trioxa-11-azacyclotetradecane?
The InChIKey is VMGVKFJSTGXRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-10-19-11-8-13-20-15-17-22-18-16-21-14-9-12-19/h2-18H2,1H3.
What are the key properties of 11-octyl-1,4,7-trioxa-11-azacyclotetradecane?
11-octyl-1,4,7-trioxa-11-azacyclotetradecane has a molecular weight of 315.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-octyl-1,4,7-trioxa-11-azacyclotetradecane is sourced from PubChem (CID 102329725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).