sodium;dodecyl sulfate;prop-1-ene

C15H31NaO4S — CID 159738369

IUPACsodium;dodecyl sulfate;prop-1-ene
SMILESC=CC.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.C3H6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);3H,1H2,2H3;/q;;+1/p-1
InChIKeyNCCXKPJNRRVMIY-UHFFFAOYSA-M
MW330.47 g/mol
LogP1.58
Rot. Bonds12

About sodium;dodecyl sulfate;prop-1-ene

sodium;dodecyl sulfate;prop-1-ene (PubChem CID 159738369) has the molecular formula C15H31NaO4S and a molecular weight of 330.47 g/mol. Its IUPAC name is sodium;dodecyl sulfate;prop-1-ene.

Molecular Properties

Compound Namesodium;dodecyl sulfate;prop-1-ene
PubChem CID159738369
Molecular FormulaC15H31NaO4S
Molecular Weight330.47 g/mol
Exact Mass330.18
IUPAC Namesodium;dodecyl sulfate;prop-1-ene
SMILESC=CC.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.C3H6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);3H,1H2,2H3;/q;;+1/p-1
InChIKeyNCCXKPJNRRVMIY-UHFFFAOYSA-M
XLogP1.58
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
copper(1+);dodecyl sulfate
CID 174360133
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
calcium nonyl sulfate
CID 101286747

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl sulfate;prop-1-ene?
The IUPAC name of sodium;dodecyl sulfate;prop-1-ene (CID 159738369) is sodium;dodecyl sulfate;prop-1-ene.
What is the SMILES notation for sodium;dodecyl sulfate;prop-1-ene?
The canonical SMILES for sodium;dodecyl sulfate;prop-1-ene is C=CC.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;dodecyl sulfate;prop-1-ene?
The InChIKey is NCCXKPJNRRVMIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.C3H6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);3H,1H2,2H3;/q;;+1/p-1.
What are the key properties of sodium;dodecyl sulfate;prop-1-ene?
sodium;dodecyl sulfate;prop-1-ene has a molecular weight of 330.47 g/mol, XLogP of 1.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl sulfate;prop-1-ene is sourced from PubChem (CID 159738369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).