4-ethoxydodecane;sulfuric acid

C14H32O5S — CID 87841741

IUPAC4-ethoxydodecane;sulfuric acid
SMILESCCCCCCCCC(CCC)OCC.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-4-7-8-9-10-11-13-14(12-5-2)15-6-3;1-5(2,3)4/h14H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyKWNVQIURBRMLDN-UHFFFAOYSA-N
MW312.47 g/mol
LogP4.29
Rot. Bonds11

About 4-ethoxydodecane;sulfuric acid

4-ethoxydodecane;sulfuric acid (PubChem CID 87841741) has the molecular formula C14H32O5S and a molecular weight of 312.47 g/mol. Its IUPAC name is 4-ethoxydodecane;sulfuric acid.

Molecular Properties

Compound Name4-ethoxydodecane;sulfuric acid
PubChem CID87841741
Molecular FormulaC14H32O5S
Molecular Weight312.47 g/mol
Exact Mass312.20
IUPAC Name4-ethoxydodecane;sulfuric acid
SMILESCCCCCCCCC(CCC)OCC.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-4-7-8-9-10-11-13-14(12-5-2)15-6-3;1-5(2,3)4/h14H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyKWNVQIURBRMLDN-UHFFFAOYSA-N
XLogP4.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethoxyoctadecane
CID 87148376
sodium 3-ethoxydodecane-1-sulfonate
CID 175686206
sodium;2-ethoxydodecane;hydride;sulfuric acid
CID 173094460
1-butoxy-6-ethoxynonane
CID 90996810
5-ethoxynonane
CID 91187482
4-ethoxytridecan-2-one
CID 89225856
1,4-diethoxydecane
CID 140997951
ethyl hexadecan-4-yl sulfate
CID 174417730
2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 118576673
sodium;9-methanidyloctadecane;sulfuric acid
CID 174994475
2-ethoxy-1-iododecane
CID 13149348
sulfuric acid;tridecane
CID 91872702

Frequently Asked Questions

What is the IUPAC name of 4-ethoxydodecane;sulfuric acid?
The IUPAC name of 4-ethoxydodecane;sulfuric acid (CID 87841741) is 4-ethoxydodecane;sulfuric acid.
What is the SMILES notation for 4-ethoxydodecane;sulfuric acid?
The canonical SMILES for 4-ethoxydodecane;sulfuric acid is CCCCCCCCC(CCC)OCC.O=S(=O)(O)O.
What is the InChIKey of 4-ethoxydodecane;sulfuric acid?
The InChIKey is KWNVQIURBRMLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.H2O4S/c1-4-7-8-9-10-11-13-14(12-5-2)15-6-3;1-5(2,3)4/h14H,4-13H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 4-ethoxydodecane;sulfuric acid?
4-ethoxydodecane;sulfuric acid has a molecular weight of 312.47 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxydodecane;sulfuric acid is sourced from PubChem (CID 87841741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).