dipentyl sulfate;methane

C11H26O4S — CID 19695165

IUPACdipentyl sulfate;methane
SMILESC.CCCCCOS(=O)(=O)OCCCCC
InChIInChI=1S/C10H22O4S.CH4/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3;1H4
InChIKeyYUYPHQMMRLKJEF-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.28
Rot. Bonds10

About dipentyl sulfate;methane

dipentyl sulfate;methane (PubChem CID 19695165) has the molecular formula C11H26O4S and a molecular weight of 254.39 g/mol. Its IUPAC name is dipentyl sulfate;methane.

Molecular Properties

Compound Namedipentyl sulfate;methane
PubChem CID19695165
Molecular FormulaC11H26O4S
Molecular Weight254.39 g/mol
Exact Mass254.16
IUPAC Namedipentyl sulfate;methane
SMILESC.CCCCCOS(=O)(=O)OCCCCC
InChIInChI=1S/C10H22O4S.CH4/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3;1H4
InChIKeyYUYPHQMMRLKJEF-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of dipentyl sulfate;methane?
The IUPAC name of dipentyl sulfate;methane (CID 19695165) is dipentyl sulfate;methane.
What is the SMILES notation for dipentyl sulfate;methane?
The canonical SMILES for dipentyl sulfate;methane is C.CCCCCOS(=O)(=O)OCCCCC.
What is the InChIKey of dipentyl sulfate;methane?
The InChIKey is YUYPHQMMRLKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S.CH4/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3;1H4.
What are the key properties of dipentyl sulfate;methane?
dipentyl sulfate;methane has a molecular weight of 254.39 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl sulfate;methane is sourced from PubChem (CID 19695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).