sodium;dodecyl phenyl sulfate;hydride

C18H31NaO4S — CID 173077040

IUPACsodium;dodecyl phenyl sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C18H30O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(19,20)22-18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1
InChIKeyJTOCYRFVIFEMFQ-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.36
Rot. Bonds14

About sodium;dodecyl phenyl sulfate;hydride

sodium;dodecyl phenyl sulfate;hydride (PubChem CID 173077040) has the molecular formula C18H31NaO4S and a molecular weight of 366.50 g/mol. Its IUPAC name is sodium;dodecyl phenyl sulfate;hydride.

Molecular Properties

Compound Namesodium;dodecyl phenyl sulfate;hydride
PubChem CID173077040
Molecular FormulaC18H31NaO4S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Namesodium;dodecyl phenyl sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C18H30O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(19,20)22-18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1
InChIKeyJTOCYRFVIFEMFQ-UHFFFAOYSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl phenyl sulfate
CID 14931957
phenyl undecyl sulfate
CID 154488683
hexoxysulfonyl phenyl sulfate
CID 174405127
sodium;hydride;tetradecyl benzenesulfonate
CID 173118998
tetrasodium;dodecyl benzenesulfonate;hydride
CID 175041944
nonyl 2-phenoxyethoxy sulfate
CID 158912103
benzyl tridecyl sulfate
CID 169195796
lithium;dodecyl benzenesulfonate;hydride
CID 173012007
sodium dihexadecyl sulfate
CID 23616668
dodecoxysulfonyl benzenesulfonate
CID 174523109
1-phenoxysulfonyloxydecan-4-yl prop-2-enoate
CID 174749972
disodium;dodecyl benzenesulfonate;dibromide
CID 159332987

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl phenyl sulfate;hydride?
The IUPAC name of sodium;dodecyl phenyl sulfate;hydride (CID 173077040) is sodium;dodecyl phenyl sulfate;hydride.
What is the SMILES notation for sodium;dodecyl phenyl sulfate;hydride?
The canonical SMILES for sodium;dodecyl phenyl sulfate;hydride is CCCCCCCCCCCCOS(=O)(=O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;dodecyl phenyl sulfate;hydride?
The InChIKey is JTOCYRFVIFEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(19,20)22-18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1.
What are the key properties of sodium;dodecyl phenyl sulfate;hydride?
sodium;dodecyl phenyl sulfate;hydride has a molecular weight of 366.50 g/mol, XLogP of 2.36, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl phenyl sulfate;hydride is sourced from PubChem (CID 173077040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).