1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane

C13H27ClO4S2 — CID 59422648

IUPAC1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
SMILESO=S(=O)(Cl)OCCOCCCCCCCCCCCS
InChIInChI=1S/C13H27ClO4S2/c14-20(15,16)18-12-11-17-10-8-6-4-2-1-3-5-7-9-13-19/h19H,1-13H2
InChIKeyWKTCGGAPVIHBLC-UHFFFAOYSA-N
MW346.94 g/mol
LogP3.94
Rot. Bonds15

About 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane

1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane (PubChem CID 59422648) has the molecular formula C13H27ClO4S2 and a molecular weight of 346.94 g/mol. Its IUPAC name is 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane.

Molecular Properties

Compound Name1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
PubChem CID59422648
Molecular FormulaC13H27ClO4S2
Molecular Weight346.94 g/mol
Exact Mass346.10
IUPAC Name1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
SMILESO=S(=O)(Cl)OCCOCCCCCCCCCCCS
InChIInChI=1S/C13H27ClO4S2/c14-20(15,16)18-12-11-17-10-8-6-4-2-1-3-5-7-9-13-19/h19H,1-13H2
InChIKeyWKTCGGAPVIHBLC-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
CID 87769608
bis(11-sulfanylundecyl) sulfate
CID 87552844
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
12-sulfanyldodecyl hydrogen sulfate
CID 118452917
1-chlorosulfonyloxyoctane
CID 54334787
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
2-(6-sulfanylhexoxy)ethanol
CID 88540112
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389
3-(5-sulfanylpentoxy)propanal
CID 177265933
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673
4-chloro-1-[2-(11-sulfanylundecoxy)ethoxy]butan-2-one
CID 59422686

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane?
The IUPAC name of 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane (CID 59422648) is 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane.
What is the SMILES notation for 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane?
The canonical SMILES for 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane is O=S(=O)(Cl)OCCOCCCCCCCCCCCS.
What is the InChIKey of 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane?
The InChIKey is WKTCGGAPVIHBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO4S2/c14-20(15,16)18-12-11-17-10-8-6-4-2-1-3-5-7-9-13-19/h19H,1-13H2.
What are the key properties of 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane?
1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane has a molecular weight of 346.94 g/mol, XLogP of 3.94, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane is sourced from PubChem (CID 59422648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).