1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol

C43H86N2O20 — CID 159067318

IUPAC1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
SMILESOCC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1.OCC1COCCOCCOCCOCCO1.OCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C19H38N2O7.C13H26O7.C11H22O6/c22-17-19-18-27-11-5-20-1-7-23-13-15-25-9-3-21(6-12-28-19)4-10-26-16-14-24-8-2-20;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h19,22H,1-18H2;13-14H,1-12H2;11-12H,1-10H2
InChIKeyJZFIYRLQCIMRCY-UHFFFAOYSA-N
MW951.15 g/mol
LogP-2.02
Rot. Bonds3

About 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol (PubChem CID 159067318) has the molecular formula C43H86N2O20 and a molecular weight of 951.15 g/mol. Its IUPAC name is 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol.

Molecular Properties

Compound Name1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
PubChem CID159067318
Molecular FormulaC43H86N2O20
Molecular Weight951.15 g/mol
Exact Mass950.58
IUPAC Name1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
SMILESOCC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1.OCC1COCCOCCOCCOCCO1.OCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C19H38N2O7.C13H26O7.C11H22O6/c22-17-19-18-27-11-5-20-1-7-23-13-15-25-9-3-21(6-12-28-19)4-10-26-16-14-24-8-2-20;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h19,22H,1-18H2;13-14H,1-12H2;11-12H,1-10H2
InChIKeyJZFIYRLQCIMRCY-UHFFFAOYSA-N
XLogP-2.02
TPSA224.08 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol
CID 161238811
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
2-(1,4-dioxan-2-yl)acetic acid
CID 18469226
5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
CID 123259415
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
methyl 6-[[(2R)-2-(hydroxymethyl)-16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
CID 155283748
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
CID 81211074
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
CID 139598646
[4-(oxan-3-yl)morpholin-2-yl]methanol
CID 83831819

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol?
The IUPAC name of 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol (CID 159067318) is 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol.
What is the SMILES notation for 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol?
The canonical SMILES for 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol is OCC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1.OCC1COCCOCCOCCOCCO1.OCC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol?
The InChIKey is JZFIYRLQCIMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O7.C13H26O7.C11H22O6/c22-17-19-18-27-11-5-20-1-7-23-13-15-25-9-3-21(6-12-28-19)4-10-26-16-14-24-8-2-20;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h19,22H,1-18H2;13-14H,1-12H2;11-12H,1-10H2.
What are the key properties of 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol?
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol has a molecular weight of 951.15 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol is sourced from PubChem (CID 159067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).