dipentyl sulfate

C10H22O4S — CID 13459933

IUPACdipentyl sulfate
SMILESCCCCCOS(=O)(=O)OCCCCC
InChIInChI=1S/C10H22O4S/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyGAFRWLVTHPVQGK-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.64
Rot. Bonds10

About dipentyl sulfate

dipentyl sulfate (PubChem CID 13459933) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is dipentyl sulfate.

Molecular Properties

Compound Namedipentyl sulfate
PubChem CID13459933
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Namedipentyl sulfate
SMILESCCCCCOS(=O)(=O)OCCCCC
InChIInChI=1S/C10H22O4S/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyGAFRWLVTHPVQGK-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.64
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

Sulfuric acid, dibutyl ester
CID 12239
Diamyl Sulfite
CID 137299
Sulfuric acid, monopentyl ester, sodium salt (1:1)
CID 23680281
Pentyl sulfate
CID 6365119
Dihexyl sulfate
CID 14747182
Diam oxysulfide
CID 12497512
Methyl n-amyl sulfate
CID 14877087
Ethylhexyl sulfate
CID 21932421
Pentaox ysulfate
CID 129285348
Fluoro pentyl sulfate
CID 169787474
Methyl methyl n-amyl sulfate
CID 129807374
Magnesium dihexyl sulfate
CID 21125103

Frequently Asked Questions

What is the IUPAC name of dipentyl sulfate?
The IUPAC name of dipentyl sulfate (CID 13459933) is dipentyl sulfate.
What is the SMILES notation for dipentyl sulfate?
The canonical SMILES for dipentyl sulfate is CCCCCOS(=O)(=O)OCCCCC.
What is the InChIKey of dipentyl sulfate?
The InChIKey is GAFRWLVTHPVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of dipentyl sulfate?
dipentyl sulfate has a molecular weight of 238.35 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl sulfate is sourced from PubChem (CID 13459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).