2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol

C278H600N20O12 — CID 158360300

IUPAC2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
SMILESCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.OCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1.OCCN1CCCN(CCO)CCN(CCO)CCCNCC1.OCCN1CCCN(CCO)CCNCCCNCC1.OCCN1CCCNCCNCCCN(CCO)CC1.OCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C18H40N4O4.12C17H36.C16H36N4O3.2C14H32N4O2.C12H28N4O/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25;12*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;21-14-11-18-6-2-7-20(13-16-23)10-9-19(12-15-22)5-1-3-17-4-8-18;19-13-11-17-7-1-3-15-5-6-16-4-2-8-18(10-9-17)12-14-20;19-13-11-17-7-2-8-18(12-14-20)10-6-16-4-1-3-15-5-9-17;17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h23-26H,1-18H2;12*3-17H2,1-2H3;17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2
InChIKeyGTJPBAIYMWTDRW-UHFFFAOYSA-N
MW4415.99 g/mol
LogP74.68
Rot. Bonds192

About 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol

2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol (PubChem CID 158360300) has the molecular formula C278H600N20O12 and a molecular weight of 4415.99 g/mol. Its IUPAC name is 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol.

Molecular Properties

Compound Name2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
PubChem CID158360300
Molecular FormulaC278H600N20O12
Molecular Weight4415.99 g/mol
Exact Mass4412.70
IUPAC Name2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
SMILESCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.OCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1.OCCN1CCCN(CCO)CCN(CCO)CCCNCC1.OCCN1CCCN(CCO)CCNCCCNCC1.OCCN1CCCNCCNCCCN(CCO)CC1.OCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C18H40N4O4.12C17H36.C16H36N4O3.2C14H32N4O2.C12H28N4O/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25;12*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;21-14-11-18-6-2-7-20(13-16-23)10-9-19(12-15-22)5-1-3-17-4-8-18;19-13-11-17-7-1-3-15-5-6-16-4-2-8-18(10-9-17)12-14-20;19-13-11-17-7-2-8-18(12-14-20)10-6-16-4-1-3-15-5-9-17;17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h23-26H,1-18H2;12*3-17H2,1-2H3;17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2
InChIKeyGTJPBAIYMWTDRW-UHFFFAOYSA-N
XLogP74.68
TPSA377.88 Ų
H-Bond Donors20
H-Bond Acceptors32
Rotatable Bonds192
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004415.99
LogP ≤ 574.68
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol with MolForge

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Related Compounds

octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol
CID 159348371
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;octakis(dodecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
CID 157087771
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
1-butyl-1,4-diazepane;ethane
CID 168976024
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
1-tricosylpiperazine
CID 130183651
ethane;1-octylpiperazine
CID 144711845

Frequently Asked Questions

What is the IUPAC name of 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The IUPAC name of 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol (CID 158360300) is 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol.
What is the SMILES notation for 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The canonical SMILES for 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol is CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.OCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1.OCCN1CCCN(CCO)CCN(CCO)CCCNCC1.OCCN1CCCN(CCO)CCNCCCNCC1.OCCN1CCCNCCNCCCN(CCO)CC1.OCCN1CCCNCCNCCCNCC1.
What is the InChIKey of 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The InChIKey is GTJPBAIYMWTDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O4.12C17H36.C16H36N4O3.2C14H32N4O2.C12H28N4O/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25;12*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;21-14-11-18-6-2-7-20(13-16-23)10-9-19(12-15-22)5-1-3-17-4-8-18;19-13-11-17-7-1-3-15-5-6-16-4-2-8-18(10-9-17)12-14-20;19-13-11-17-7-2-8-18(12-14-20)10-6-16-4-1-3-15-5-9-17;17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h23-26H,1-18H2;12*3-17H2,1-2H3;17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2.
What are the key properties of 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol has a molecular weight of 4415.99 g/mol, XLogP of 74.68, 192 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol is sourced from PubChem (CID 158360300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).