1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid

C11H26O4SSi — CID 173419817

IUPAC1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid
SMILESC[SiH](C)OC(CCCCC(C)(C)C)S(=O)(=O)O
InChIInChI=1S/C11H26O4SSi/c1-11(2,3)9-7-6-8-10(15-17(4)5)16(12,13)14/h10,17H,6-9H2,1-5H3,(H,12,13,14)
InChIKeyICSFLXAVMPWSKE-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.81
Rot. Bonds7

About 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid

1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid (PubChem CID 173419817) has the molecular formula C11H26O4SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid.

Molecular Properties

Compound Name1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid
PubChem CID173419817
Molecular FormulaC11H26O4SSi
Molecular Weight282.48 g/mol
Exact Mass282.13
IUPAC Name1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid
SMILESC[SiH](C)OC(CCCCC(C)(C)C)S(=O)(=O)O
InChIInChI=1S/C11H26O4SSi/c1-11(2,3)9-7-6-8-10(15-17(4)5)16(12,13)14/h10,17H,6-9H2,1-5H3,(H,12,13,14)
InChIKeyICSFLXAVMPWSKE-UHFFFAOYSA-N
XLogP2.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid
CID 173046450
(6,6-dimethyl-1-prop-2-enoyloxyheptyl) prop-2-enoate
CID 154418165
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2,9,9-trimethyldecanoic acid
CID 142774628
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
azane;1-tetradecoxyoctane-1-sulfonic acid
CID 175528792
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
dipotassium;2-(6,6-dimethylheptyl)propanedioate
CID 140613543
9,9-dimethyldecan-3-ol
CID 156689502
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
2,2,12,12-tetramethyl-3-(2,2,12,12-tetramethyltridecan-3-ylperoxy)tridecane
CID 150462473

Frequently Asked Questions

What is the IUPAC name of 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid?
The IUPAC name of 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid (CID 173419817) is 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid.
What is the SMILES notation for 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid?
The canonical SMILES for 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid is C[SiH](C)OC(CCCCC(C)(C)C)S(=O)(=O)O.
What is the InChIKey of 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid?
The InChIKey is ICSFLXAVMPWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4SSi/c1-11(2,3)9-7-6-8-10(15-17(4)5)16(12,13)14/h10,17H,6-9H2,1-5H3,(H,12,13,14).
What are the key properties of 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid?
1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid has a molecular weight of 282.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid is sourced from PubChem (CID 173419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).