Npc315034

HCID 4329331

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCOS(=O)(=O)[O-]
InChIKey: MOTZDAYCYVMXPC-UHFFFAOYSA-M
Molecular formula: C12H25O4S-
Average molar mass: 265.39 g/mol
Monoisotopic mass: 265.14735545

Names & identifiers

Preferred name: Npc315034
IUPAC: dodecyl sulfate

Names & synonyms

RefChem:1093079Npc315034texapon DLstandapol 112avirol 118WAQEE487SLSSulfuric acid monododecyl ester sodium saltSodium dodecanesulfatefinasol osr (sub 2)3u90

Show more names

MOTZDAYCYVMXPC-UHFFFAOYSA-MBDBM50530482AKOS028111868NCGC00091020-04NCGC00091020-05PD161349

Database identifiers

PubChem CID: 4329331
ChEBI: CHEBI:23872
Nikkaji: J1.771.286A、J283.001I

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 17
Formal charge: -1
Complexity: 230

Related reactions

11 records

New reaction record

HRID 265226As reactantuspto-grants-1997_07

HRID 293567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 700150As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 819827As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1136179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1202054As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1625532As reactantuspto-grants-2014_07

HRID 1906250As reactantuspto-grants-1987_03

Linked notes

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