chloro octyl sulfite

C8H17ClO3S — CID 19822778

IUPACchloro octyl sulfite
SMILESCCCCCCCCOS(=O)OCl
InChIInChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-11-13(10)12-9/h2-8H2,1H3
InChIKeyQXVJTJODERPMMW-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.11
Rot. Bonds9

About chloro octyl sulfite

chloro octyl sulfite (PubChem CID 19822778) has the molecular formula C8H17ClO3S and a molecular weight of 228.74 g/mol. Its IUPAC name is chloro octyl sulfite.

Molecular Properties

Compound Namechloro octyl sulfite
PubChem CID19822778
Molecular FormulaC8H17ClO3S
Molecular Weight228.74 g/mol
Exact Mass228.06
IUPAC Namechloro octyl sulfite
SMILESCCCCCCCCOS(=O)OCl
InChIInChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-11-13(10)12-9/h2-8H2,1H3
InChIKeyQXVJTJODERPMMW-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl pentyl sulfite
CID 6421054
pentyl undecyl sulfite
CID 6421050
butyl tetradecyl sulfite
CID 6420804
butyl pentyl sulfite
CID 6420768
ethyl hexyl sulfite
CID 87282770
nonadecyl hydrogen sulfite
CID 57310669
heptadecyl hydrogen sulfite
CID 57062838
decyl prop-2-ynyl sulfite
CID 98531560
methane;octyl sulfite
CID 159287523
lithium;dodecyl sulfite;hydride
CID 174417370
potassium;hydride;octyl sulfite
CID 174439661
(4-methoxy-2-methylbutyl) undecyl sulfite
CID 6421838

Frequently Asked Questions

What is the IUPAC name of chloro octyl sulfite?
The IUPAC name of chloro octyl sulfite (CID 19822778) is chloro octyl sulfite.
What is the SMILES notation for chloro octyl sulfite?
The canonical SMILES for chloro octyl sulfite is CCCCCCCCOS(=O)OCl.
What is the InChIKey of chloro octyl sulfite?
The InChIKey is QXVJTJODERPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-11-13(10)12-9/h2-8H2,1H3.
What are the key properties of chloro octyl sulfite?
chloro octyl sulfite has a molecular weight of 228.74 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro octyl sulfite is sourced from PubChem (CID 19822778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).