2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

C39H81NO6 — CID 176739700

IUPAC2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCOCC(CN(CCOCCO)CCOCCO)OCCCCCCCCCCCCCC
InChIInChI=1S/C39H81NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-45-38-39(37-40(27-33-43-35-29-41)28-34-44-36-30-42)46-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,41-42H,3-38H2,1-2H3
InChIKeyVEJYDUPZNDILSE-UHFFFAOYSA-N
MW660.08 g/mol
LogP9.11
Rot. Bonds41

About 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (PubChem CID 176739700) has the molecular formula C39H81NO6 and a molecular weight of 660.08 g/mol. Its IUPAC name is 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
PubChem CID176739700
Molecular FormulaC39H81NO6
Molecular Weight660.08 g/mol
Exact Mass659.61
IUPAC Name2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCOCC(CN(CCOCCO)CCOCCO)OCCCCCCCCCCCCCC
InChIInChI=1S/C39H81NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-45-38-39(37-40(27-33-43-35-29-41)28-34-44-36-30-42)46-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,41-42H,3-38H2,1-2H3
InChIKeyVEJYDUPZNDILSE-UHFFFAOYSA-N
XLogP9.11
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds41
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.08
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[4-(diethylamino)-2-dodecoxybutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11578221
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CID 132520295
2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethanol
CID 175432010
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
N,N-diethylethanamine;2,3-dihexadecoxypropan-1-ol
CID 172690402
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (CID 176739700) is 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is CCCCCCCCCCCCCCOCC(CN(CCOCCO)CCOCCO)OCCCCCCCCCCCCCC.
What is the InChIKey of 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The InChIKey is VEJYDUPZNDILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H81NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-45-38-39(37-40(27-33-43-35-29-41)28-34-44-36-30-42)46-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,41-42H,3-38H2,1-2H3.
What are the key properties of 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol has a molecular weight of 660.08 g/mol, XLogP of 9.11, 41 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,3-di(tetradecoxy)propyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 176739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).