tetrasodium;dodecyl benzenesulfonate;hydride

C18H34Na4O3S — CID 175041944

IUPACtetrasodium;dodecyl benzenesulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H30O3S.4Na.4H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;;;;;;;/h11-13,15-16H,2-10,14,17H2,1H3;;;;;;;;/q;4*+1;4*-1
InChIKeyAHZMCQQGDGBCJD-UHFFFAOYSA-N
MW422.49 g/mol
LogP-6.22
Rot. Bonds13

About tetrasodium;dodecyl benzenesulfonate;hydride

tetrasodium;dodecyl benzenesulfonate;hydride (PubChem CID 175041944) has the molecular formula C18H34Na4O3S and a molecular weight of 422.49 g/mol. Its IUPAC name is tetrasodium;dodecyl benzenesulfonate;hydride.

Molecular Properties

Compound Nametetrasodium;dodecyl benzenesulfonate;hydride
PubChem CID175041944
Molecular FormulaC18H34Na4O3S
Molecular Weight422.49 g/mol
Exact Mass422.18
IUPAC Nametetrasodium;dodecyl benzenesulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H30O3S.4Na.4H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;;;;;;;/h11-13,15-16H,2-10,14,17H2,1H3;;;;;;;;/q;4*+1;4*-1
InChIKeyAHZMCQQGDGBCJD-UHFFFAOYSA-N
XLogP-6.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 5-6.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;tetradecyl benzenesulfonate
CID 173118998
lithium;dodecyl benzenesulfonate;hydride
CID 173012007
potassium;hydride;pentadecyl benzenesulfonate
CID 173412768
calcium;decyl benzenesulfonate;hydride
CID 173115657
disodium;dodecyl benzenesulfonate;dibromide
CID 159332987
CID 161209831
CID 161209831
CID 157196428
CID 157196428
CID 159146829
CID 159146829
CID 172858891
CID 172858891
hexadecyl benzenesulfonate
CID 5238354
azane;tetradecyl benzenesulfonate
CID 87099151
azane;dodecyl benzenesulfonate
CID 172704339

Frequently Asked Questions

What is the IUPAC name of tetrasodium;dodecyl benzenesulfonate;hydride?
The IUPAC name of tetrasodium;dodecyl benzenesulfonate;hydride (CID 175041944) is tetrasodium;dodecyl benzenesulfonate;hydride.
What is the SMILES notation for tetrasodium;dodecyl benzenesulfonate;hydride?
The canonical SMILES for tetrasodium;dodecyl benzenesulfonate;hydride is CCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;dodecyl benzenesulfonate;hydride?
The InChIKey is AHZMCQQGDGBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3S.4Na.4H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;;;;;;;/h11-13,15-16H,2-10,14,17H2,1H3;;;;;;;;/q;4*+1;4*-1.
What are the key properties of tetrasodium;dodecyl benzenesulfonate;hydride?
tetrasodium;dodecyl benzenesulfonate;hydride has a molecular weight of 422.49 g/mol, XLogP of -6.22, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;dodecyl benzenesulfonate;hydride is sourced from PubChem (CID 175041944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).