4,4-dimethyldecyl hydrogen sulfate

C12H26O4S — CID 134206518

IUPAC4,4-dimethyldecyl hydrogen sulfate
SMILESCCCCCCC(C)(C)CCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-4-5-6-7-9-12(2,3)10-8-11-16-17(13,14)15/h4-11H2,1-3H3,(H,13,14,15)
InChIKeyYKHVGHMFFXYUJO-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.58
Rot. Bonds10

About 4,4-dimethyldecyl hydrogen sulfate

4,4-dimethyldecyl hydrogen sulfate (PubChem CID 134206518) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 4,4-dimethyldecyl hydrogen sulfate.

Molecular Properties

Compound Name4,4-dimethyldecyl hydrogen sulfate
PubChem CID134206518
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name4,4-dimethyldecyl hydrogen sulfate
SMILESCCCCCCC(C)(C)CCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-4-5-6-7-9-12(2,3)10-8-11-16-17(13,14)15/h4-11H2,1-3H3,(H,13,14,15)
InChIKeyYKHVGHMFFXYUJO-UHFFFAOYSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
butyl hydrogen sulfate;heptane
CID 175360663
9-octylheptadecan-9-amine;octyl hydrogen sulfate
CID 173131161
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;phosphane
CID 173112718

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyldecyl hydrogen sulfate?
The IUPAC name of 4,4-dimethyldecyl hydrogen sulfate (CID 134206518) is 4,4-dimethyldecyl hydrogen sulfate.
What is the SMILES notation for 4,4-dimethyldecyl hydrogen sulfate?
The canonical SMILES for 4,4-dimethyldecyl hydrogen sulfate is CCCCCCC(C)(C)CCCOS(=O)(=O)O.
What is the InChIKey of 4,4-dimethyldecyl hydrogen sulfate?
The InChIKey is YKHVGHMFFXYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-4-5-6-7-9-12(2,3)10-8-11-16-17(13,14)15/h4-11H2,1-3H3,(H,13,14,15).
What are the key properties of 4,4-dimethyldecyl hydrogen sulfate?
4,4-dimethyldecyl hydrogen sulfate has a molecular weight of 266.40 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyldecyl hydrogen sulfate is sourced from PubChem (CID 134206518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).