hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine

C30H64ClNO4 — CID 88657815

IUPAChypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
SMILESCCCCCCCCOCCN(CCOCCCCCCCC)CCOCCCCCCCC.OCl
InChIInChI=1S/C30H63NO3.ClHO/c1-4-7-10-13-16-19-25-32-28-22-31(23-29-33-26-20-17-14-11-8-5-2)24-30-34-27-21-18-15-12-9-6-3;1-2/h4-30H2,1-3H3;2H
InChIKeyMVTSOLJKLVMWDW-UHFFFAOYSA-N
MW538.30 g/mol
LogP8.55
Rot. Bonds30

About hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine

hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine (PubChem CID 88657815) has the molecular formula C30H64ClNO4 and a molecular weight of 538.30 g/mol. Its IUPAC name is hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine.

Molecular Properties

Compound Namehypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
PubChem CID88657815
Molecular FormulaC30H64ClNO4
Molecular Weight538.30 g/mol
Exact Mass537.45
IUPAC Namehypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
SMILESCCCCCCCCOCCN(CCOCCCCCCCC)CCOCCCCCCCC.OCl
InChIInChI=1S/C30H63NO3.ClHO/c1-4-7-10-13-16-19-25-32-28-22-31(23-29-33-26-20-17-14-11-8-5-2)24-30-34-27-21-18-15-12-9-6-3;1-2/h4-30H2,1-3H3;2H
InChIKeyMVTSOLJKLVMWDW-UHFFFAOYSA-N
XLogP8.55
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.30
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
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2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297413
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297390
2-[2-[2-[2-[2-[3-[dodecyl-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297407
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
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Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine?
The IUPAC name of hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine (CID 88657815) is hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine.
What is the SMILES notation for hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine?
The canonical SMILES for hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine is CCCCCCCCOCCN(CCOCCCCCCCC)CCOCCCCCCCC.OCl.
What is the InChIKey of hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine?
The InChIKey is MVTSOLJKLVMWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO3.ClHO/c1-4-7-10-13-16-19-25-32-28-22-31(23-29-33-26-20-17-14-11-8-5-2)24-30-34-27-21-18-15-12-9-6-3;1-2/h4-30H2,1-3H3;2H.
What are the key properties of hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine?
hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine has a molecular weight of 538.30 g/mol, XLogP of 8.55, 30 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine is sourced from PubChem (CID 88657815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).