tetradec-9-enyl hydrogen sulfate

C14H28O4S — CID 123445931

IUPACtetradec-9-enyl hydrogen sulfate
SMILESCCCCC=CCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H,15,16,17)
InChIKeyIMHLNRISLKBWFJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.28
Rot. Bonds13

About tetradec-9-enyl hydrogen sulfate

tetradec-9-enyl hydrogen sulfate (PubChem CID 123445931) has the molecular formula C14H28O4S and a molecular weight of 292.44 g/mol. Its IUPAC name is tetradec-9-enyl hydrogen sulfate.

Molecular Properties

Compound Nametetradec-9-enyl hydrogen sulfate
PubChem CID123445931
Molecular FormulaC14H28O4S
Molecular Weight292.44 g/mol
Exact Mass292.17
IUPAC Nametetradec-9-enyl hydrogen sulfate
SMILESCCCCC=CCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H,15,16,17)
InChIKeyIMHLNRISLKBWFJ-UHFFFAOYSA-N
XLogP4.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl hydrogen sulfate;(Z)-octadec-9-en-1-ol
CID 175110005
[(Z)-oct-5-enyl] hydrogen sulfate
CID 10058896
2-octadec-9-enoxyethyl hydrogen sulfate
CID 73000898
ethoxyethane;[(9Z,12Z)-octadeca-9,12-dienyl] hydrogen sulfate
CID 122436829
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
CID 87182380
CID 87182380
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
tridecyl hydrogen sulfate;hydrate
CID 88668618

Frequently Asked Questions

What is the IUPAC name of tetradec-9-enyl hydrogen sulfate?
The IUPAC name of tetradec-9-enyl hydrogen sulfate (CID 123445931) is tetradec-9-enyl hydrogen sulfate.
What is the SMILES notation for tetradec-9-enyl hydrogen sulfate?
The canonical SMILES for tetradec-9-enyl hydrogen sulfate is CCCCC=CCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of tetradec-9-enyl hydrogen sulfate?
The InChIKey is IMHLNRISLKBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H,15,16,17).
What are the key properties of tetradec-9-enyl hydrogen sulfate?
tetradec-9-enyl hydrogen sulfate has a molecular weight of 292.44 g/mol, XLogP of 4.28, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-9-enyl hydrogen sulfate is sourced from PubChem (CID 123445931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).