propan-2-yl propyl sulfite

C6H14O3S — CID 134895903

IUPACpropan-2-yl propyl sulfite
SMILESCCCOS(=O)OC(C)C
InChIInChI=1S/C6H14O3S/c1-4-5-8-10(7)9-6(2)3/h6H,4-5H2,1-3H3
InChIKeyYONDATGAIHKGJS-UHFFFAOYSA-N
MW166.24 g/mol
LogP1.42
Rot. Bonds5

About propan-2-yl propyl sulfite

propan-2-yl propyl sulfite (PubChem CID 134895903) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is propan-2-yl propyl sulfite.

Molecular Properties

Compound Namepropan-2-yl propyl sulfite
PubChem CID134895903
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Namepropan-2-yl propyl sulfite
SMILESCCCOS(=O)OC(C)C
InChIInChI=1S/C6H14O3S/c1-4-5-8-10(7)9-6(2)3/h6H,4-5H2,1-3H3
InChIKeyYONDATGAIHKGJS-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl propane-1-sulfinate
CID 23271047
pentadecyl pentyl sulfite
CID 6421054
butyl pentyl sulfite
CID 6420768
dibutyl sulfite;3,4-dimethylhexane-1,6-disulfonic acid
CID 175377714
1-ethylphosphanylsulfinyloxypropane
CID 170850973
dibutan-2-yl sulfite
CID 545722
bis(2-methylbutyl) sulfite
CID 87261553
bis(4-hydroxypentyl) sulfite
CID 155124795
ethyl hexyl sulfite
CID 87282770
propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane
CID 57354437
propyl propane-2-sulfonate
CID 19702370
(4-methoxy-2-methylbutyl) undecyl sulfite
CID 6421838

Frequently Asked Questions

What is the IUPAC name of propan-2-yl propyl sulfite?
The IUPAC name of propan-2-yl propyl sulfite (CID 134895903) is propan-2-yl propyl sulfite.
What is the SMILES notation for propan-2-yl propyl sulfite?
The canonical SMILES for propan-2-yl propyl sulfite is CCCOS(=O)OC(C)C.
What is the InChIKey of propan-2-yl propyl sulfite?
The InChIKey is YONDATGAIHKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-4-5-8-10(7)9-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of propan-2-yl propyl sulfite?
propan-2-yl propyl sulfite has a molecular weight of 166.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl propyl sulfite is sourced from PubChem (CID 134895903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).