disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate

C18H38Na2O8S — CID 172848066

IUPACdisodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
SMILESCCCCCCCCCCCCC(O)COCCOCCO.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H38O4.2Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;;1-5(2,3)4/h18-20H,2-17H2,1H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyXRTVVQBYUZXDMI-UHFFFAOYSA-L
MW460.54 g/mol
LogP-3.65
Rot. Bonds18

About disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate

disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate (PubChem CID 172848066) has the molecular formula C18H38Na2O8S and a molecular weight of 460.54 g/mol. Its IUPAC name is disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate.

Molecular Properties

Compound Namedisodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
PubChem CID172848066
Molecular FormulaC18H38Na2O8S
Molecular Weight460.54 g/mol
Exact Mass460.21
IUPAC Namedisodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
SMILESCCCCCCCCCCCCC(O)COCCOCCO.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H38O4.2Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;;1-5(2,3)4/h18-20H,2-17H2,1H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyXRTVVQBYUZXDMI-UHFFFAOYSA-L
XLogP-3.65
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 5-3.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', '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]tetradecan-2-ol;hydrate
CID 173484113
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol
CID 87319718

Frequently Asked Questions

What is the IUPAC name of disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate?
The IUPAC name of disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate (CID 172848066) is disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate.
What is the SMILES notation for disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate?
The canonical SMILES for disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate is CCCCCCCCCCCCC(O)COCCOCCO.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate?
The InChIKey is XRTVVQBYUZXDMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H38O4.2Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-22-16-15-21-14-13-19;;;1-5(2,3)4/h18-20H,2-17H2,1H3;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate?
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate has a molecular weight of 460.54 g/mol, XLogP of -3.65, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate is sourced from PubChem (CID 172848066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).