sodium [(Z)-dec-3-enyl] sulfate

C10H19NaO4S — CID 102352098

IUPACsodium [(Z)-dec-3-enyl] sulfate
SMILESCCCCCC/C=C\CCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H20O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h7-8H,2-6,9-10H2,1H3,(H,11,12,13);/q;+1/p-1/b8-7-;
InChIKeyXTJZWVCEOFMHJX-CFYXSCKTSA-M
MW258.31 g/mol
LogP-0.62
Rot. Bonds9

About sodium [(Z)-dec-3-enyl] sulfate

sodium [(Z)-dec-3-enyl] sulfate (PubChem CID 102352098) has the molecular formula C10H19NaO4S and a molecular weight of 258.31 g/mol. Its IUPAC name is sodium [(Z)-dec-3-enyl] sulfate.

Molecular Properties

Compound Namesodium [(Z)-dec-3-enyl] sulfate
PubChem CID102352098
Molecular FormulaC10H19NaO4S
Molecular Weight258.31 g/mol
Exact Mass258.09
IUPAC Namesodium [(Z)-dec-3-enyl] sulfate
SMILESCCCCCC/C=C\CCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H20O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h7-8H,2-6,9-10H2,1H3,(H,11,12,13);/q;+1/p-1/b8-7-;
InChIKeyXTJZWVCEOFMHJX-CFYXSCKTSA-M
XLogP-0.62
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
sodium [(E)-octadec-1-enyl] sulfate
CID 23682132
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium [(1E,3E)-icosa-1,3-dienyl] sulfate
CID 23682122
sodium docosa-1,3-dienyl sulfate
CID 74086116
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
[(E)-1-sulfonatooxytetracos-6-en-4-yl] sulfate
CID 21488201

Frequently Asked Questions

What is the IUPAC name of sodium [(Z)-dec-3-enyl] sulfate?
The IUPAC name of sodium [(Z)-dec-3-enyl] sulfate (CID 102352098) is sodium [(Z)-dec-3-enyl] sulfate.
What is the SMILES notation for sodium [(Z)-dec-3-enyl] sulfate?
The canonical SMILES for sodium [(Z)-dec-3-enyl] sulfate is CCCCCC/C=C\CCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium [(Z)-dec-3-enyl] sulfate?
The InChIKey is XTJZWVCEOFMHJX-CFYXSCKTSA-M. The full InChI is InChI=1S/C10H20O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h7-8H,2-6,9-10H2,1H3,(H,11,12,13);/q;+1/p-1/b8-7-;.
What are the key properties of sodium [(Z)-dec-3-enyl] sulfate?
sodium [(Z)-dec-3-enyl] sulfate has a molecular weight of 258.31 g/mol, XLogP of -0.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(Z)-dec-3-enyl] sulfate is sourced from PubChem (CID 102352098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).