3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate

C11H24O4S2 — CID 59871747

IUPAC3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate
SMILESCC(C)CCOS(=O)COS(=O)CCC(C)C
InChIInChI=1S/C11H24O4S2/c1-10(2)5-7-14-17(13)9-15-16(12)8-6-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyCUSXJHAIQAYRDN-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.40
Rot. Bonds10

About 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate

3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate (PubChem CID 59871747) has the molecular formula C11H24O4S2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate.

Molecular Properties

Compound Name3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate
PubChem CID59871747
Molecular FormulaC11H24O4S2
Molecular Weight284.44 g/mol
Exact Mass284.11
IUPAC Name3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate
SMILESCC(C)CCOS(=O)COS(=O)CCC(C)C
InChIInChI=1S/C11H24O4S2/c1-10(2)5-7-14-17(13)9-15-16(12)8-6-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyCUSXJHAIQAYRDN-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isoamylsultone
CID 22597177
Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)
CID 229685
4-Ethylsulfonyloxybutyl ethanesulfonate
CID 229587
1-Butanesulfonic acid,4-butanediyl ester
CID 229683
Sulfoisoamyl ether
CID 129803299
Ethyl 2,3-dimethylbutane-1-sulfonate
CID 229586
Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)
CID 229684
Butane-1,4-diyl bis(2,3-dimethylbutane-1-sulfonate)
CID 229688
4-Propylsulfonyloxybutyl propane-1-sulfonate
CID 319127
4-Propan-2-ylsulfonyloxybutyl propane-2-sulfonate
CID 18435281
Butyl 2-methylpropane-1-sulfonate
CID 22436769
Bis(2-methylpropyl) propane-1,3-disulfonate
CID 50938907

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate?
The IUPAC name of 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate (CID 59871747) is 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate.
What is the SMILES notation for 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate?
The canonical SMILES for 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate is CC(C)CCOS(=O)COS(=O)CCC(C)C.
What is the InChIKey of 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate?
The InChIKey is CUSXJHAIQAYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S2/c1-10(2)5-7-14-17(13)9-15-16(12)8-6-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate?
3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate has a molecular weight of 284.44 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxysulfinylmethyl 3-methylbutane-1-sulfinate is sourced from PubChem (CID 59871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).