bis(2-methylbutyl) sulfite

C10H22O3S — CID 87261553

IUPACbis(2-methylbutyl) sulfite
SMILESCCC(C)COS(=O)OCC(C)CC
InChIInChI=1S/C10H22O3S/c1-5-9(3)7-12-14(11)13-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyRYKNBSVUMVKNNX-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.69
Rot. Bonds8

About bis(2-methylbutyl) sulfite

bis(2-methylbutyl) sulfite (PubChem CID 87261553) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is bis(2-methylbutyl) sulfite.

Molecular Properties

Compound Namebis(2-methylbutyl) sulfite
PubChem CID87261553
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Namebis(2-methylbutyl) sulfite
SMILESCCC(C)COS(=O)OCC(C)CC
InChIInChI=1S/C10H22O3S/c1-5-9(3)7-12-14(11)13-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyRYKNBSVUMVKNNX-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylbutoxy)butane
CID 4584641
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
methane;1-methoxy-2-methylbutane
CID 159281556
(4-methoxy-2-methylbutyl) undecyl sulfite
CID 6421838
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
2-methylbutyl acetate
CID 90958828
2-methyl-1-pentan-3-yloxybutane
CID 23377308
dibutan-2-yl sulfite
CID 545722
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
methane;2-methylbutyl acetate
CID 160631044

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutyl) sulfite?
The IUPAC name of bis(2-methylbutyl) sulfite (CID 87261553) is bis(2-methylbutyl) sulfite.
What is the SMILES notation for bis(2-methylbutyl) sulfite?
The canonical SMILES for bis(2-methylbutyl) sulfite is CCC(C)COS(=O)OCC(C)CC.
What is the InChIKey of bis(2-methylbutyl) sulfite?
The InChIKey is RYKNBSVUMVKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-5-9(3)7-12-14(11)13-8-10(4)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of bis(2-methylbutyl) sulfite?
bis(2-methylbutyl) sulfite has a molecular weight of 222.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutyl) sulfite is sourced from PubChem (CID 87261553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).