2,2-dihydroxyethyl dodecyl sulfate

C14H30O6S — CID 57133153

IUPAC2,2-dihydroxyethyl dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCC(O)O
InChIInChI=1S/C14H30O6S/c1-2-3-4-5-6-7-8-9-10-11-12-19-21(17,18)20-13-14(15)16/h14-16H,2-13H2,1H3
InChIKeyHHZOMOZAXAFUQQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.50
Rot. Bonds15

About 2,2-dihydroxyethyl dodecyl sulfate

2,2-dihydroxyethyl dodecyl sulfate (PubChem CID 57133153) has the molecular formula C14H30O6S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2,2-dihydroxyethyl dodecyl sulfate.

Molecular Properties

Compound Name2,2-dihydroxyethyl dodecyl sulfate
PubChem CID57133153
Molecular FormulaC14H30O6S
Molecular Weight326.46 g/mol
Exact Mass326.18
IUPAC Name2,2-dihydroxyethyl dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCC(O)O
InChIInChI=1S/C14H30O6S/c1-2-3-4-5-6-7-8-9-10-11-12-19-21(17,18)20-13-14(15)16/h14-16H,2-13H2,1H3
InChIKeyHHZOMOZAXAFUQQ-UHFFFAOYSA-N
XLogP2.50
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2,3-dihydroxypropyl octyl sulfate
CID 87621441
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
bis(7-methyldodecyl) sulfate
CID 140502369
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
2,3-dihydroxypropyl [(Z)-octadec-9-enyl] sulfate
CID 87905758
ethyl octyl sulfate
CID 22483719

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxyethyl dodecyl sulfate?
The IUPAC name of 2,2-dihydroxyethyl dodecyl sulfate (CID 57133153) is 2,2-dihydroxyethyl dodecyl sulfate.
What is the SMILES notation for 2,2-dihydroxyethyl dodecyl sulfate?
The canonical SMILES for 2,2-dihydroxyethyl dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)OCC(O)O.
What is the InChIKey of 2,2-dihydroxyethyl dodecyl sulfate?
The InChIKey is HHZOMOZAXAFUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6S/c1-2-3-4-5-6-7-8-9-10-11-12-19-21(17,18)20-13-14(15)16/h14-16H,2-13H2,1H3.
What are the key properties of 2,2-dihydroxyethyl dodecyl sulfate?
2,2-dihydroxyethyl dodecyl sulfate has a molecular weight of 326.46 g/mol, XLogP of 2.50, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxyethyl dodecyl sulfate is sourced from PubChem (CID 57133153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).