sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)

C12H25NaO6STi — CID 162039562

IUPACsodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[O-2].[O-2].[Ti+4]
InChIInChI=1S/C12H26O4S.Na.2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H,13,14,15);;;;/q;+1;2*-2;+4/p-1
InChIKeyYXCCULLWTBRNSY-UHFFFAOYSA-M
MW368.25 g/mol
LogP0.15
Rot. Bonds12

About sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)

sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) (PubChem CID 162039562) has the molecular formula C12H25NaO6STi and a molecular weight of 368.25 g/mol. Its IUPAC name is sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+).

Molecular Properties

Compound Namesodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
PubChem CID162039562
Molecular FormulaC12H25NaO6STi
Molecular Weight368.25 g/mol
Exact Mass368.07
IUPAC Namesodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[O-2].[O-2].[Ti+4]
InChIInChI=1S/C12H26O4S.Na.2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H,13,14,15);;;;/q;+1;2*-2;+4/p-1
InChIKeyYXCCULLWTBRNSY-UHFFFAOYSA-M
XLogP0.15
TPSA123.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
copper(1+);dodecyl sulfate
CID 174360133
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
calcium nonyl sulfate
CID 101286747
potassium decyl sulfate
CID 23673657
zinc octyl sulfate
CID 139716471

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)?
The IUPAC name of sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) (CID 162039562) is sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+).
What is the SMILES notation for sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)?
The canonical SMILES for sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) is CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[O-2].[O-2].[Ti+4].
What is the InChIKey of sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)?
The InChIKey is YXCCULLWTBRNSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Na.2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H,13,14,15);;;;/q;+1;2*-2;+4/p-1.
What are the key properties of sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)?
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) has a molecular weight of 368.25 g/mol, XLogP of 0.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+) is sourced from PubChem (CID 162039562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).