6-(2-methylpentoxy)hexane-1-sulfonyl chloride

C12H25ClO3S — CID 103285980

IUPAC6-(2-methylpentoxy)hexane-1-sulfonyl chloride
SMILESCCCC(C)COCCCCCCS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO3S/c1-3-8-12(2)11-16-9-6-4-5-7-10-17(13,14)15/h12H,3-11H2,1-2H3
InChIKeyFCURUBGXEGRSRI-UHFFFAOYSA-N
MW284.85 g/mol
LogP3.57
Rot. Bonds11

About 6-(2-methylpentoxy)hexane-1-sulfonyl chloride

6-(2-methylpentoxy)hexane-1-sulfonyl chloride (PubChem CID 103285980) has the molecular formula C12H25ClO3S and a molecular weight of 284.85 g/mol. Its IUPAC name is 6-(2-methylpentoxy)hexane-1-sulfonyl chloride.

Molecular Properties

Compound Name6-(2-methylpentoxy)hexane-1-sulfonyl chloride
PubChem CID103285980
Molecular FormulaC12H25ClO3S
Molecular Weight284.85 g/mol
Exact Mass284.12
IUPAC Name6-(2-methylpentoxy)hexane-1-sulfonyl chloride
SMILESCCCC(C)COCCCCCCS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO3S/c1-3-8-12(2)11-16-9-6-4-5-7-10-17(13,14)15/h12H,3-11H2,1-2H3
InChIKeyFCURUBGXEGRSRI-UHFFFAOYSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 53.57
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

4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
CID 106450585
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
5-(2-methylpentoxy)pentanenitrile
CID 103283756
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
heptane-1-sulfonyl chloride
CID 10878141
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2-(2-methylpentoxy)ethanamine
CID 62343431
1-(4-methylheptoxymethoxy)octane
CID 172535111
(Z)-1-(2,6-dimethyloctoxy)octadec-9-ene
CID 166045726

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentoxy)hexane-1-sulfonyl chloride?
The IUPAC name of 6-(2-methylpentoxy)hexane-1-sulfonyl chloride (CID 103285980) is 6-(2-methylpentoxy)hexane-1-sulfonyl chloride.
What is the SMILES notation for 6-(2-methylpentoxy)hexane-1-sulfonyl chloride?
The canonical SMILES for 6-(2-methylpentoxy)hexane-1-sulfonyl chloride is CCCC(C)COCCCCCCS(=O)(=O)Cl.
What is the InChIKey of 6-(2-methylpentoxy)hexane-1-sulfonyl chloride?
The InChIKey is FCURUBGXEGRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO3S/c1-3-8-12(2)11-16-9-6-4-5-7-10-17(13,14)15/h12H,3-11H2,1-2H3.
What are the key properties of 6-(2-methylpentoxy)hexane-1-sulfonyl chloride?
6-(2-methylpentoxy)hexane-1-sulfonyl chloride has a molecular weight of 284.85 g/mol, XLogP of 3.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpentoxy)hexane-1-sulfonyl chloride is sourced from PubChem (CID 103285980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).