ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol

C33H81NO9 — CID 172569633

IUPACethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol
SMILESCC.CC.CCC(O)NCCOCCOC.CCCCCCC.CCCO.CCCOC.COCCOCCOCCO
InChIInChI=1S/C8H19NO3.C7H16O4.C7H16.C4H10O.C3H8O.2C2H6/c1-3-8(10)9-4-5-12-7-6-11-2;1-9-4-5-11-7-6-10-3-2-8;1-3-5-7-6-4-2;1-3-4-5-2;1-2-3-4;2*1-2/h8-10H,3-7H2,1-2H3;8H,2-7H2,1H3;3-7H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;2*1-2H3
InChIKeyLCVKZYOOAPXEQM-UHFFFAOYSA-N
MW636.01 g/mol
LogP6.09
Rot. Bonds23

About ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol

ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol (PubChem CID 172569633) has the molecular formula C33H81NO9 and a molecular weight of 636.01 g/mol. Its IUPAC name is ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol.

Molecular Properties

Compound Nameethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol
PubChem CID172569633
Molecular FormulaC33H81NO9
Molecular Weight636.01 g/mol
Exact Mass635.59
IUPAC Nameethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol
SMILESCC.CC.CCC(O)NCCOCCOC.CCCCCCC.CCCO.CCCOC.COCCOCCOCCO
InChIInChI=1S/C8H19NO3.C7H16O4.C7H16.C4H10O.C3H8O.2C2H6/c1-3-8(10)9-4-5-12-7-6-11-2;1-9-4-5-11-7-6-10-3-2-8;1-3-5-7-6-4-2;1-3-4-5-2;1-2-3-4;2*1-2/h8-10H,3-7H2,1-2H3;8H,2-7H2,1H3;3-7H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;2*1-2H3
InChIKeyLCVKZYOOAPXEQM-UHFFFAOYSA-N
XLogP6.09
TPSA128.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.01
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium
CID 175236077
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol?
The IUPAC name of ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol (CID 172569633) is ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol.
What is the SMILES notation for ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol?
The canonical SMILES for ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol is CC.CC.CCC(O)NCCOCCOC.CCCCCCC.CCCO.CCCOC.COCCOCCOCCO.
What is the InChIKey of ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol?
The InChIKey is LCVKZYOOAPXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3.C7H16O4.C7H16.C4H10O.C3H8O.2C2H6/c1-3-8(10)9-4-5-12-7-6-11-2;1-9-4-5-11-7-6-10-3-2-8;1-3-5-7-6-4-2;1-3-4-5-2;1-2-3-4;2*1-2/h8-10H,3-7H2,1-2H3;8H,2-7H2,1H3;3-7H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol?
ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol has a molecular weight of 636.01 g/mol, XLogP of 6.09, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;2-[2-(2-methoxyethoxy)ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethylamino]propan-1-ol;1-methoxypropane;propan-1-ol is sourced from PubChem (CID 172569633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).