Sodium allyl dodecyl sulfosuccinate

C19H34NaO7S — CID 87080076

IUPAC—
SMILESC=CCOC(=O)C(CC(=O)OCCCCCCCCCCCC)S(=O)(=O)O.[Na]
InChIInChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-15-25-18(20)16-17(27(22,23)24)19(21)26-14-4-2;/h4,17H,2-3,5-16H2,1H3,(H,22,23,24);
InChIKeyBLTMYLSBCXYDGG-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.45
Rot. Bonds17

About Sodium allyl dodecyl sulfosuccinate

Sodium allyl dodecyl sulfosuccinate (PubChem CID 87080076) has the molecular formula C19H34NaO7S and a molecular weight of 429.53 g/mol.

Molecular Properties

Compound NameSodium allyl dodecyl sulfosuccinate
PubChem CID87080076
Molecular FormulaC19H34NaO7S
Molecular Weight429.53 g/mol
Exact Mass429.19
IUPAC Name—
SMILESC=CCOC(=O)C(CC(=O)OCCCCCCCCCCCC)S(=O)(=O)O.[Na]
InChIInChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-15-25-18(20)16-17(27(22,23)24)19(21)26-14-4-2;/h4,17H,2-3,5-16H2,1H3,(H,22,23,24);
InChIKeyBLTMYLSBCXYDGG-UHFFFAOYSA-N
XLogP3.45
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1,4-didodecoxy-1,4-dioxobutane-2-sulfonic acid;1,4-dioctadecoxy-1,4-dioxobutane-2-sulfonic acid
CID 174797153
azane;1,4-diheptoxy-1,4-dioxobutane-2-sulfonic acid
CID 172862876
CID 87803052
CID 87803052
sodium;1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid;chloride
CID 172742887
4-dodecoxy-1,4-dioxo-1-propoxybutane-2-sulfonic acid
CID 175278383
CID 158735342
CID 158735342
CID 159486892
CID 159486892
1,4-didecoxy-1,4-dioxobutane-2-sulfonic acid;tetrabutylazanium
CID 175021440
4-dodecoxy-1-[2-[6-[2-(4-dodecoxy-4-oxo-2-sulfobutanoyl)oxyethoxy]hexoxy]ethoxy]-1,4-dioxobutane-2-sulfonic acid
CID 122378233
CID 172740203
CID 172740203
sodium 1,4-dibutoxy-1,4-dioxobutane-2-sulfonic acid
CID 18538186
disodium;hydride;4-oxo-2-sulfo-4-tridecoxybutanoic acid
CID 174767922

Frequently Asked Questions

What is the IUPAC name of Sodium allyl dodecyl sulfosuccinate?
The IUPAC name of Sodium allyl dodecyl sulfosuccinate (CID 87080076) is not available.
What is the SMILES notation for Sodium allyl dodecyl sulfosuccinate?
The canonical SMILES for Sodium allyl dodecyl sulfosuccinate is C=CCOC(=O)C(CC(=O)OCCCCCCCCCCCC)S(=O)(=O)O.[Na].
What is the InChIKey of Sodium allyl dodecyl sulfosuccinate?
The InChIKey is BLTMYLSBCXYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-15-25-18(20)16-17(27(22,23)24)19(21)26-14-4-2;/h4,17H,2-3,5-16H2,1H3,(H,22,23,24);.
What are the key properties of Sodium allyl dodecyl sulfosuccinate?
Sodium allyl dodecyl sulfosuccinate has a molecular weight of 429.53 g/mol, XLogP of 3.45, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium allyl dodecyl sulfosuccinate is sourced from PubChem (CID 87080076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).