ethyl hexyl sulfite

C8H18O3S — CID 87282770

IUPACethyl hexyl sulfite
SMILESCCCCCCOS(=O)OCC
InChIInChI=1S/C8H18O3S/c1-3-5-6-7-8-11-12(9)10-4-2/h3-8H2,1-2H3
InChIKeyPVGUBZSEEAHILZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.20
Rot. Bonds8

About ethyl hexyl sulfite

ethyl hexyl sulfite (PubChem CID 87282770) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is ethyl hexyl sulfite.

Molecular Properties

Compound Nameethyl hexyl sulfite
PubChem CID87282770
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Nameethyl hexyl sulfite
SMILESCCCCCCOS(=O)OCC
InChIInChI=1S/C8H18O3S/c1-3-5-6-7-8-11-12(9)10-4-2/h3-8H2,1-2H3
InChIKeyPVGUBZSEEAHILZ-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl hexyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentadecyl pentyl sulfite
CID 6421054
pentyl undecyl sulfite
CID 6421050
butyl tetradecyl sulfite
CID 6420804
butyl pentyl sulfite
CID 6420768
chloro octyl sulfite
CID 19822778
decyl prop-2-ynyl sulfite
CID 98531560
2,2-diheptoxypropyl ethyl sulfite
CID 46945493
heptadecyl hydrogen sulfite
CID 57062838
nonadecyl hydrogen sulfite
CID 57310669
(4-methoxy-2-methylbutyl) undecyl sulfite
CID 6421838
methane;octyl sulfite
CID 159287523
lithium;dodecyl sulfite;hydride
CID 174417370

Frequently Asked Questions

What is the IUPAC name of ethyl hexyl sulfite?
The IUPAC name of ethyl hexyl sulfite (CID 87282770) is ethyl hexyl sulfite.
What is the SMILES notation for ethyl hexyl sulfite?
The canonical SMILES for ethyl hexyl sulfite is CCCCCCOS(=O)OCC.
What is the InChIKey of ethyl hexyl sulfite?
The InChIKey is PVGUBZSEEAHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-3-5-6-7-8-11-12(9)10-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl hexyl sulfite?
ethyl hexyl sulfite has a molecular weight of 194.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexyl sulfite is sourced from PubChem (CID 87282770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).