morpholine;tetradecyl hydrogen sulfate

C18H39NO5S — CID 173012488

IUPACmorpholine;tetradecyl hydrogen sulfate
SMILESC1COCCN1.CCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H30O4S.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-6-4-2-5-1/h2-14H2,1H3,(H,15,16,17);5H,1-4H2
InChIKeyCRTXHDMZUDCPHW-UHFFFAOYSA-N
MW381.58 g/mol
LogP4.11
Rot. Bonds14

About morpholine;tetradecyl hydrogen sulfate

morpholine;tetradecyl hydrogen sulfate (PubChem CID 173012488) has the molecular formula C18H39NO5S and a molecular weight of 381.58 g/mol. Its IUPAC name is morpholine;tetradecyl hydrogen sulfate.

Molecular Properties

Compound Namemorpholine;tetradecyl hydrogen sulfate
PubChem CID173012488
Molecular FormulaC18H39NO5S
Molecular Weight381.58 g/mol
Exact Mass381.25
IUPAC Namemorpholine;tetradecyl hydrogen sulfate
SMILESC1COCCN1.CCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H30O4S.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-6-4-2-5-1/h2-14H2,1H3,(H,15,16,17);5H,1-4H2
InChIKeyCRTXHDMZUDCPHW-UHFFFAOYSA-N
XLogP4.11
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
decane-1-sulfonic acid;decyl hydrogen sulfate
CID 160659101
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846

Frequently Asked Questions

What is the IUPAC name of morpholine;tetradecyl hydrogen sulfate?
The IUPAC name of morpholine;tetradecyl hydrogen sulfate (CID 173012488) is morpholine;tetradecyl hydrogen sulfate.
What is the SMILES notation for morpholine;tetradecyl hydrogen sulfate?
The canonical SMILES for morpholine;tetradecyl hydrogen sulfate is C1COCCN1.CCCCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of morpholine;tetradecyl hydrogen sulfate?
The InChIKey is CRTXHDMZUDCPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-6-4-2-5-1/h2-14H2,1H3,(H,15,16,17);5H,1-4H2.
What are the key properties of morpholine;tetradecyl hydrogen sulfate?
morpholine;tetradecyl hydrogen sulfate has a molecular weight of 381.58 g/mol, XLogP of 4.11, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;tetradecyl hydrogen sulfate is sourced from PubChem (CID 173012488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).