sulfuric acid;2,2,6,6-tetramethylheptane

C11H26O4S — CID 175200152

IUPACsulfuric acid;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C11H24.H2O4S/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h7-9H2,1-6H3;(H2,1,2,3,4)
InChIKeyRPAQKXVYCONEFF-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.60
Rot. Bonds2

About sulfuric acid;2,2,6,6-tetramethylheptane

sulfuric acid;2,2,6,6-tetramethylheptane (PubChem CID 175200152) has the molecular formula C11H26O4S and a molecular weight of 254.39 g/mol. Its IUPAC name is sulfuric acid;2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Namesulfuric acid;2,2,6,6-tetramethylheptane
PubChem CID175200152
Molecular FormulaC11H26O4S
Molecular Weight254.39 g/mol
Exact Mass254.16
IUPAC Namesulfuric acid;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C11H24.H2O4S/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h7-9H2,1-6H3;(H2,1,2,3,4)
InChIKeyRPAQKXVYCONEFF-UHFFFAOYSA-N
XLogP3.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylbutane-1-sulfonic acid
CID 4293192
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
3,3-dimethylbutyl hydrogen sulfate
CID 22662185
sodium 2,2-bis(4,4-dimethylpentyl)propanedioic acid
CID 54602708
6,6-dimethyl-1-methylsulfonylheptane
CID 157459266
ethane;2,2,6,6-tetramethylheptane;tritium monohydride
CID 158881033
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
CID 141028756
diazanium;3,3-dimethylbutane-1-sulfonate;hydrogen sulfate
CID 155673965
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;2,2,6,6-tetramethylheptane?
The IUPAC name of sulfuric acid;2,2,6,6-tetramethylheptane (CID 175200152) is sulfuric acid;2,2,6,6-tetramethylheptane.
What is the SMILES notation for sulfuric acid;2,2,6,6-tetramethylheptane?
The canonical SMILES for sulfuric acid;2,2,6,6-tetramethylheptane is CC(C)(C)CCCC(C)(C)C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2,2,6,6-tetramethylheptane?
The InChIKey is RPAQKXVYCONEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.H2O4S/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h7-9H2,1-6H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;2,2,6,6-tetramethylheptane?
sulfuric acid;2,2,6,6-tetramethylheptane has a molecular weight of 254.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2,2,6,6-tetramethylheptane is sourced from PubChem (CID 175200152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).