bis[4-(methoxymethoxy)butyl] sulfate

C12H26O8S — CID 139845452

IUPACbis[4-(methoxymethoxy)butyl] sulfate
SMILESCOCOCCCCOS(=O)(=O)OCCCCOCOC
InChIInChI=1S/C12H26O8S/c1-15-11-17-7-3-5-9-19-21(13,14)20-10-6-4-8-18-12-16-2/h3-12H2,1-2H3
InChIKeyVCWHMQYETVVAOV-UHFFFAOYSA-N
MW330.40 g/mol
LogP1.07
Rot. Bonds16

About bis[4-(methoxymethoxy)butyl] sulfate

bis[4-(methoxymethoxy)butyl] sulfate (PubChem CID 139845452) has the molecular formula C12H26O8S and a molecular weight of 330.40 g/mol. Its IUPAC name is bis[4-(methoxymethoxy)butyl] sulfate.

Molecular Properties

Compound Namebis[4-(methoxymethoxy)butyl] sulfate
PubChem CID139845452
Molecular FormulaC12H26O8S
Molecular Weight330.40 g/mol
Exact Mass330.13
IUPAC Namebis[4-(methoxymethoxy)butyl] sulfate
SMILESCOCOCCCCOS(=O)(=O)OCCCCOCOC
InChIInChI=1S/C12H26O8S/c1-15-11-17-7-3-5-9-19-21(13,14)20-10-6-4-8-18-12-16-2/h3-12H2,1-2H3
InChIKeyVCWHMQYETVVAOV-UHFFFAOYSA-N
XLogP1.07
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(3-hexoxypropyl) sulfate
CID 139845289
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839
lithium 1-(methoxymethoxy)pentane
CID 172535172
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
7-(methoxymethoxy)heptan-1-ol
CID 102354620
azanium didodecyl sulfate
CID 23617704
sodium dihexadecyl sulfate
CID 23616668
bis[3-(3-ethoxypropylamino)propyl] sulfate
CID 155409951

Frequently Asked Questions

What is the IUPAC name of bis[4-(methoxymethoxy)butyl] sulfate?
The IUPAC name of bis[4-(methoxymethoxy)butyl] sulfate (CID 139845452) is bis[4-(methoxymethoxy)butyl] sulfate.
What is the SMILES notation for bis[4-(methoxymethoxy)butyl] sulfate?
The canonical SMILES for bis[4-(methoxymethoxy)butyl] sulfate is COCOCCCCOS(=O)(=O)OCCCCOCOC.
What is the InChIKey of bis[4-(methoxymethoxy)butyl] sulfate?
The InChIKey is VCWHMQYETVVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O8S/c1-15-11-17-7-3-5-9-19-21(13,14)20-10-6-4-8-18-12-16-2/h3-12H2,1-2H3.
What are the key properties of bis[4-(methoxymethoxy)butyl] sulfate?
bis[4-(methoxymethoxy)butyl] sulfate has a molecular weight of 330.40 g/mol, XLogP of 1.07, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(methoxymethoxy)butyl] sulfate is sourced from PubChem (CID 139845452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).