[(Z)-oct-5-enyl] hydrogen sulfate

C8H16O4S — CID 10058896

IUPAC[(Z)-oct-5-enyl] hydrogen sulfate
SMILESCC/C=C\CCCCOS(=O)(=O)O
InChIInChI=1S/C8H16O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h3-4H,2,5-8H2,1H3,(H,9,10,11)/b4-3-
InChIKeyVWHWMQCIWRGWAE-ARJAWSKDSA-N
MW208.28 g/mol
LogP1.94
Rot. Bonds7

About [(Z)-oct-5-enyl] hydrogen sulfate

[(Z)-oct-5-enyl] hydrogen sulfate (PubChem CID 10058896) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is [(Z)-oct-5-enyl] hydrogen sulfate.

Molecular Properties

Compound Name[(Z)-oct-5-enyl] hydrogen sulfate
PubChem CID10058896
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name[(Z)-oct-5-enyl] hydrogen sulfate
SMILESCC/C=C\CCCCOS(=O)(=O)O
InChIInChI=1S/C8H16O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h3-4H,2,5-8H2,1H3,(H,9,10,11)/b4-3-
InChIKeyVWHWMQCIWRGWAE-ARJAWSKDSA-N
XLogP1.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.94
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'}

Analyze [(Z)-oct-5-enyl] 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

tetradec-9-enyl hydrogen sulfate
CID 123445931
bis[(E)-oct-5-enyl] sulfate
CID 20847790
hexadecyl hydrogen sulfate;(Z)-octadec-9-en-1-ol
CID 175110005
2-octadec-9-enoxyethyl hydrogen sulfate
CID 73000898
ethoxyethane;[(9Z,12Z)-octadeca-9,12-dienyl] hydrogen sulfate
CID 122436829
18-oxooctadecyl hydrogen sulfate
CID 54176030
pent-2-enyl hydrogen sulfate
CID 151367529
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
CID 87182380
CID 87182380
Sodiumn-tridecylsulphate
CID 131877406
tridecyl hydrogen sulfate;hydrate
CID 88668618

Frequently Asked Questions

What is the IUPAC name of [(Z)-oct-5-enyl] hydrogen sulfate?
The IUPAC name of [(Z)-oct-5-enyl] hydrogen sulfate (CID 10058896) is [(Z)-oct-5-enyl] hydrogen sulfate.
What is the SMILES notation for [(Z)-oct-5-enyl] hydrogen sulfate?
The canonical SMILES for [(Z)-oct-5-enyl] hydrogen sulfate is CC/C=C\CCCCOS(=O)(=O)O.
What is the InChIKey of [(Z)-oct-5-enyl] hydrogen sulfate?
The InChIKey is VWHWMQCIWRGWAE-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H16O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h3-4H,2,5-8H2,1H3,(H,9,10,11)/b4-3-.
What are the key properties of [(Z)-oct-5-enyl] hydrogen sulfate?
[(Z)-oct-5-enyl] hydrogen sulfate has a molecular weight of 208.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-5-enyl] hydrogen sulfate is sourced from PubChem (CID 10058896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).