azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate

C18H43NO5 — CID 173484113

IUPACazane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
SMILESCCCCCCCCCCCCC(O)COCCOCCO.N.O
InChIInChI=1S/C18H38O4.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;/h18-20H,2-17H2,1H3;1H3;1H2
InChIKeyFYJQORFYFLSKCW-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.02
Rot. Bonds18

About azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate

azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate (PubChem CID 173484113) has the molecular formula C18H43NO5 and a molecular weight of 353.54 g/mol. Its IUPAC name is azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate.

Molecular Properties

Compound Nameazane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
PubChem CID173484113
Molecular FormulaC18H43NO5
Molecular Weight353.54 g/mol
Exact Mass353.31
IUPAC Nameazane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
SMILESCCCCCCCCCCCCC(O)COCCOCCO.N.O
InChIInChI=1S/C18H38O4.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;/h18-20H,2-17H2,1H3;1H3;1H2
InChIKeyFYJQORFYFLSKCW-UHFFFAOYSA-N
XLogP3.02
TPSA125.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[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]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
CID 172848066
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-octadecoxyicosan-2-ol
CID 88758338
1-octoxydecan-2-ol
CID 57119039
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503

Frequently Asked Questions

What is the IUPAC name of azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate?
The IUPAC name of azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate (CID 173484113) is azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate.
What is the SMILES notation for azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate?
The canonical SMILES for azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate is CCCCCCCCCCCCC(O)COCCOCCO.N.O.
What is the InChIKey of azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate?
The InChIKey is FYJQORFYFLSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;/h18-20H,2-17H2,1H3;1H3;1H2.
What are the key properties of azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate?
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate has a molecular weight of 353.54 g/mol, XLogP of 3.02, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate is sourced from PubChem (CID 173484113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).