1-chlorosulfonyloxypentane

C5H11ClO3S — CID 18520026

IUPAC1-chlorosulfonyloxypentane
SMILESCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyUFNSZNMFZFKFGE-UHFFFAOYSA-N
MW186.66 g/mol
LogP1.68
Rot. Bonds5

About 1-chlorosulfonyloxypentane

1-chlorosulfonyloxypentane (PubChem CID 18520026) has the molecular formula C5H11ClO3S and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chlorosulfonyloxypentane.

Molecular Properties

Compound Name1-chlorosulfonyloxypentane
PubChem CID18520026
Molecular FormulaC5H11ClO3S
Molecular Weight186.66 g/mol
Exact Mass186.01
IUPAC Name1-chlorosulfonyloxypentane
SMILESCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyUFNSZNMFZFKFGE-UHFFFAOYSA-N
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 51.68
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

Pentyl sulfate
CID 6365119
Sulfuric acid, monopentyl ester, sodium salt (1:1)
CID 23680281
Pentyl fluorosulfate
CID 87221194
Butyl sulfurochloridate
CID 13310121
Methyl n-amyl sulfate
CID 14877087
Butyl sulfurochloridoite
CID 23270425
Hexyl chlorosulfate
CID 55280142
CID 57247159
CID 57247159
Pentyl sulfurochloridoite
CID 71389966
Methyl pentyl sulfite
CID 81426
Fluoro pentyl sulfate
CID 169787474
Ethyl pentyl sulfate
CID 14877088

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxypentane?
The IUPAC name of 1-chlorosulfonyloxypentane (CID 18520026) is 1-chlorosulfonyloxypentane.
What is the SMILES notation for 1-chlorosulfonyloxypentane?
The canonical SMILES for 1-chlorosulfonyloxypentane is CCCCCOS(=O)(=O)Cl.
What is the InChIKey of 1-chlorosulfonyloxypentane?
The InChIKey is UFNSZNMFZFKFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3.
What are the key properties of 1-chlorosulfonyloxypentane?
1-chlorosulfonyloxypentane has a molecular weight of 186.66 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxypentane is sourced from PubChem (CID 18520026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).