bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate

C12H27AlO3S — CID 139725086

IUPACbis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate
SMILESCC(C)C[Al](CC(C)C)OS(=O)(=O)CC(C)C
InChIInChI=1S/C4H10O3S.2C4H9.Al/c1-4(2)3-8(5,6)7;2*1-4(2)3;/h4H,3H2,1-2H3,(H,5,6,7);2*4H,1H2,2-3H3;/q;;;+1/p-1
InChIKeyOWOVKEKGVZKTEQ-UHFFFAOYSA-M
MW278.39 g/mol
LogP3.29
Rot. Bonds8

About bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate

bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate (PubChem CID 139725086) has the molecular formula C12H27AlO3S and a molecular weight of 278.39 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate
PubChem CID139725086
Molecular FormulaC12H27AlO3S
Molecular Weight278.39 g/mol
Exact Mass278.15
IUPAC Namebis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate
SMILESCC(C)C[Al](CC(C)C)OS(=O)(=O)CC(C)C
InChIInChI=1S/C4H10O3S.2C4H9.Al/c1-4(2)3-8(5,6)7;2*1-4(2)3;/h4H,3H2,1-2H3,(H,5,6,7);2*4H,1H2,2-3H3;/q;;;+1/p-1
InChIKeyOWOVKEKGVZKTEQ-UHFFFAOYSA-M
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
CID 175022763
2-methylpropane-1-sulfonamide
CID 10197726
butan-2-yloxy-bis(2-methylpropyl)alumane
CID 16699071
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
azane;2-methyl-1-methylsulfonylpropane;hydrochloride
CID 87536413
alumane;dimethyl(2-methylpropyl)alumane
CID 175439137
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
CID 66221977
bis(propan-2-yloxymethylsulfonyloxy)alumanyl propan-2-yloxymethanesulfonate
CID 140999765
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589
CID 86745857
CID 86745857

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate?
The IUPAC name of bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate (CID 139725086) is bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate.
What is the SMILES notation for bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate?
The canonical SMILES for bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate is CC(C)C[Al](CC(C)C)OS(=O)(=O)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate?
The InChIKey is OWOVKEKGVZKTEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O3S.2C4H9.Al/c1-4(2)3-8(5,6)7;2*1-4(2)3;/h4H,3H2,1-2H3,(H,5,6,7);2*4H,1H2,2-3H3;/q;;;+1/p-1.
What are the key properties of bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate?
bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate has a molecular weight of 278.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate is sourced from PubChem (CID 139725086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).