dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate

C18H40O8S — CID 88766044

IUPACdodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCCCCO.O=S(=O)(O)OCCOCCOCCO
InChIInChI=1S/C12H26O.C6H14O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-2-11-3-4-12-5-6-13-14(8,9)10/h13H,2-12H2,1H3;7H,1-6H2,(H,8,9,10)
InChIKeyBWYDSVOQFSLULY-UHFFFAOYSA-N
MW416.58 g/mol
LogP2.73
Rot. Bonds19

About dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate

dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate (PubChem CID 88766044) has the molecular formula C18H40O8S and a molecular weight of 416.58 g/mol. Its IUPAC name is dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Namedodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
PubChem CID88766044
Molecular FormulaC18H40O8S
Molecular Weight416.58 g/mol
Exact Mass416.24
IUPAC Namedodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCCCCO.O=S(=O)(O)OCCOCCOCCO
InChIInChI=1S/C12H26O.C6H14O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-2-11-3-4-12-5-6-13-14(8,9)10/h13H,2-12H2,1H3;7H,1-6H2,(H,8,9,10)
InChIKeyBWYDSVOQFSLULY-UHFFFAOYSA-N
XLogP2.73
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.58
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87749418
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14151438
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21351862
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 11274827
sodium 2-dodecoxyethyl hydrogen sulfate
CID 23618880
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697
CID 171000795
CID 171000795
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89123871
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate?
The IUPAC name of dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate (CID 88766044) is dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate is CCCCCCCCCCCCO.O=S(=O)(O)OCCOCCOCCO.
What is the InChIKey of dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate?
The InChIKey is BWYDSVOQFSLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H14O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-2-11-3-4-12-5-6-13-14(8,9)10/h13H,2-12H2,1H3;7H,1-6H2,(H,8,9,10).
What are the key properties of dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate?
dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate has a molecular weight of 416.58 g/mol, XLogP of 2.73, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 88766044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).