1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

C14H29NO6 — CID 6455380

IUPAC1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
SMILESC1COCCOCCOCCOCCOCCOCCN1
InChIInChI=1S/C14H29NO6/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15H,1-14H2
InChIKeyJBCHLRJXUSEBMN-UHFFFAOYSA-N
MW307.39 g/mol
LogP-0.31
Rot. Bonds

About 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane (PubChem CID 6455380) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane.

Molecular Properties

Compound Name1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
PubChem CID6455380
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Name1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
SMILESC1COCCOCCOCCOCCOCCOCCN1
InChIInChI=1S/C14H29NO6/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15H,1-14H2
InChIKeyJBCHLRJXUSEBMN-UHFFFAOYSA-N
XLogP-0.31
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The IUPAC name of 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane (CID 6455380) is 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane.
What is the SMILES notation for 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The canonical SMILES for 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane is C1COCCOCCOCCOCCOCCOCCN1.
What is the InChIKey of 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The InChIKey is JBCHLRJXUSEBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO6/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15H,1-14H2.
What are the key properties of 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane has a molecular weight of 307.39 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane is sourced from PubChem (CID 6455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).