14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C14H29NO5 — CID 12717860

IUPAC14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCC1CNCC(C)OCCOCCOCCOCCO1
InChIInChI=1S/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3
InChIKeyFVBSVZZRWQOUPT-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.45
Rot. Bonds

About 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 12717860) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID12717860
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCC1CNCC(C)OCCOCCOCCOCCO1
InChIInChI=1S/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3
InChIKeyFVBSVZZRWQOUPT-UHFFFAOYSA-N
XLogP0.45
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 12717860) is 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is CC1CNCC(C)OCCOCCOCCOCCO1.
What is the InChIKey of 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is FVBSVZZRWQOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 291.39 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 12717860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).