1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol

C29H60O9 — CID 175685028

IUPAC1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)OCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C29H60O9/c1-3-5-6-7-8-9-10-11-12-13-14-29(30)38-28-27-37-26-25-36-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-4-2/h29-30H,3-28H2,1-2H3
InChIKeyGQNASKIEHNGSDZ-UHFFFAOYSA-N
MW552.79 g/mol
LogP4.77
Rot. Bonds34

About 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol

1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol (PubChem CID 175685028) has the molecular formula C29H60O9 and a molecular weight of 552.79 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
PubChem CID175685028
Molecular FormulaC29H60O9
Molecular Weight552.79 g/mol
Exact Mass552.42
IUPAC Name1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)OCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C29H60O9/c1-3-5-6-7-8-9-10-11-12-13-14-29(30)38-28-27-37-26-25-36-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-4-2/h29-30H,3-28H2,1-2H3
InChIKeyGQNASKIEHNGSDZ-UHFFFAOYSA-N
XLogP4.77
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.79
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
CID 90068233
1-undecoxybutan-1-ol
CID 139971924
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
1-butoxyoctane-1,8-diol
CID 87774765
1-icosoxybutane-1,4-diol
CID 175387447
2-(2-ethoxyethoxy)octanenitrile
CID 121008530
2-(2-ethoxyethoxy)octanal
CID 22457210
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol (CID 175685028) is 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol is CCCCCCCCCCCCC(O)OCCOCCOCCOCCOCCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol?
The InChIKey is GQNASKIEHNGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O9/c1-3-5-6-7-8-9-10-11-12-13-14-29(30)38-28-27-37-26-25-36-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-4-2/h29-30H,3-28H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol?
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol has a molecular weight of 552.79 g/mol, XLogP of 4.77, 34 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol is sourced from PubChem (CID 175685028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).