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

C152H336N16O8 — CID 157087771

IUPAC2-[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
SMILESCCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.OCCN1CCCN(CCO)CCN(CCO)CCCNCC1.OCCN1CCCN(CCO)CCNCCCNCC1.OCCN1CCCNCCNCCCN(CCO)CC1.OCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C16H36N4O3.2C14H32N4O2.C12H28N4O.8C12H26/c21-14-11-18-6-2-7-20(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;8*1-3-5-7-9-11-12-10-8-6-4-2/h17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2;8*3-12H2,1-2H3
InChIKeyAEHFEAXANDHBDY-UHFFFAOYSA-N
MW2516.46 g/mol
LogP33.61
Rot. Bonds88

About 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

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 (PubChem CID 157087771) has the molecular formula C152H336N16O8 and a molecular weight of 2516.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157087771
Molecular FormulaC152H336N16O8
Molecular Weight2516.46 g/mol
Exact Mass2514.64
IUPAC Name2-[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
SMILESCCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.OCCN1CCCN(CCO)CCN(CCO)CCCNCC1.OCCN1CCCN(CCO)CCNCCCNCC1.OCCN1CCCNCCNCCCN(CCO)CC1.OCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C16H36N4O3.2C14H32N4O2.C12H28N4O.8C12H26/c21-14-11-18-6-2-7-20(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;8*1-3-5-7-9-11-12-10-8-6-4-2/h17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2;8*3-12H2,1-2H3
InChIKeyAEHFEAXANDHBDY-UHFFFAOYSA-N
XLogP33.61
TPSA284.00 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds88
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.46
LogP ≤ 533.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

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;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 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;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
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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCC.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;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?
The InChIKey is AEHFEAXANDHBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O3.2C14H32N4O2.C12H28N4O.8C12H26/c21-14-11-18-6-2-7-20(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;8*1-3-5-7-9-11-12-10-8-6-4-2/h17,21-23H,1-16H2;2*15-16,19-20H,1-14H2;13-15,17H,1-12H2;8*3-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2516.46 g/mol, XLogP of 33.61, 88 rotatable bonds, 16 hydrogen bond donors, and 24 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;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 is sourced from PubChem (CID 157087771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).