sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate

C8H15NaO5SSn — CID 134904912

IUPACsodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate
SMILESCC(=O)OC/C(=C/S(=O)(=O)[O-])[Sn](C)(C)C.[Na+]
InChIInChI=1S/C5H7O5S.3CH3.Na.Sn/c1-5(6)10-3-2-4-11(7,8)9;;;;;/h4H,3H2,1H3,(H,7,8,9);3*1H3;;/q;;;;+1;/p-1
InChIKeyUZNBDIVKOHSQFV-UHFFFAOYSA-M
MW364.97 g/mol
LogP-2.14
Rot. Bonds4

About sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate

sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate (PubChem CID 134904912) has the molecular formula C8H15NaO5SSn and a molecular weight of 364.97 g/mol. Its IUPAC name is sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate.

Molecular Properties

Compound Namesodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate
PubChem CID134904912
Molecular FormulaC8H15NaO5SSn
Molecular Weight364.97 g/mol
Exact Mass365.96
IUPAC Namesodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate
SMILESCC(=O)OC/C(=C/S(=O)(=O)[O-])[Sn](C)(C)C.[Na+]
InChIInChI=1S/C5H7O5S.3CH3.Na.Sn/c1-5(6)10-3-2-4-11(7,8)9;;;;;/h4H,3H2,1H3,(H,7,8,9);3*1H3;;/q;;;;+1;/p-1
InChIKeyUZNBDIVKOHSQFV-UHFFFAOYSA-M
XLogP-2.14
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.97
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate?
The IUPAC name of sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate (CID 134904912) is sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate.
What is the SMILES notation for sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate?
The canonical SMILES for sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate is CC(=O)OC/C(=C/S(=O)(=O)[O-])[Sn](C)(C)C.[Na+].
What is the InChIKey of sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate?
The InChIKey is UZNBDIVKOHSQFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7O5S.3CH3.Na.Sn/c1-5(6)10-3-2-4-11(7,8)9;;;;;/h4H,3H2,1H3,(H,7,8,9);3*1H3;;/q;;;;+1;/p-1.
What are the key properties of sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate?
sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate has a molecular weight of 364.97 g/mol, XLogP of -2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-3-acetyloxy-2-trimethylstannylprop-1-ene-1-sulfonate is sourced from PubChem (CID 134904912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).