dipentan-2-yl sulfate

C10H22O4S — CID 19695162

IUPACdipentan-2-yl sulfate
SMILESCCCC(C)OS(=O)(=O)OC(C)CCC
InChIInChI=1S/C10H22O4S/c1-5-7-9(3)13-15(11,12)14-10(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyBHGFAOUEWALHAF-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.64
Rot. Bonds8

About dipentan-2-yl sulfate

dipentan-2-yl sulfate (PubChem CID 19695162) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is dipentan-2-yl sulfate.

Molecular Properties

Compound Namedipentan-2-yl sulfate
PubChem CID19695162
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Namedipentan-2-yl sulfate
SMILESCCCC(C)OS(=O)(=O)OC(C)CCC
InChIInChI=1S/C10H22O4S/c1-5-7-9(3)13-15(11,12)14-10(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyBHGFAOUEWALHAF-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of dipentan-2-yl sulfate?
The IUPAC name of dipentan-2-yl sulfate (CID 19695162) is dipentan-2-yl sulfate.
What is the SMILES notation for dipentan-2-yl sulfate?
The canonical SMILES for dipentan-2-yl sulfate is CCCC(C)OS(=O)(=O)OC(C)CCC.
What is the InChIKey of dipentan-2-yl sulfate?
The InChIKey is BHGFAOUEWALHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-5-7-9(3)13-15(11,12)14-10(4)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of dipentan-2-yl sulfate?
dipentan-2-yl sulfate has a molecular weight of 238.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentan-2-yl sulfate is sourced from PubChem (CID 19695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).