2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride

C15H29ClO3S — CID 114158126

IUPAC2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
SMILESCCCC(CCC)(COCCC1CCC1)CS(=O)(=O)Cl
InChIInChI=1S/C15H29ClO3S/c1-3-9-15(10-4-2,13-20(16,17)18)12-19-11-8-14-6-5-7-14/h14H,3-13H2,1-2H3
InChIKeyMSDCYVPFQNQLFU-UHFFFAOYSA-N
MW324.91 g/mol
LogP4.35
Rot. Bonds11

About 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride

2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride (PubChem CID 114158126) has the molecular formula C15H29ClO3S and a molecular weight of 324.91 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
PubChem CID114158126
Molecular FormulaC15H29ClO3S
Molecular Weight324.91 g/mol
Exact Mass324.15
IUPAC Name2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
SMILESCCCC(CCC)(COCCC1CCC1)CS(=O)(=O)Cl
InChIInChI=1S/C15H29ClO3S/c1-3-9-15(10-4-2,13-20(16,17)18)12-19-11-8-14-6-5-7-14/h14H,3-13H2,1-2H3
InChIKeyMSDCYVPFQNQLFU-UHFFFAOYSA-N
XLogP4.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.91
LogP ≤ 54.35
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

7-Oxaspiro[3.5]nonane-2-sulfonyl chloride
CID 146049590
(7-Oxaspiro(3.5)nonan-6-yl)methanesulfonyl chloride
CID 155821818
{7-Oxaspiro[3.5]nonan-2-yl}methanesulfonyl chloride
CID 155822982
3-(2-Ethylhexoxy)propane-1-sulfinate
CID 57293433
1-(Oxepan-4-yl)propane-2-sulfonyl chloride
CID 123821105
4-(2-Ethylhexoxy)butane-1-sulfonyl chloride
CID 64198197
3-[(2-Ethylhexyl)oxy]propane-1-sulfonyl chloride
CID 64198198
2-[(2-Ethylhexyl)oxy]ethane-1-sulfonyl chloride
CID 64198199
2-[2-(2-Ethylhexoxy)ethoxy]ethanesulfonyl chloride
CID 64198422
5-(2-Ethylhexoxy)pentane-1-sulfonyl chloride
CID 64198423
6-(2-Ethylhexoxy)hexane-1-sulfonyl chloride
CID 64198424
6-(4-Methylpentoxy)hexane-1-sulfonyl chloride
CID 64198873

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The IUPAC name of 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride (CID 114158126) is 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The canonical SMILES for 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride is CCCC(CCC)(COCCC1CCC1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The InChIKey is MSDCYVPFQNQLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClO3S/c1-3-9-15(10-4-2,13-20(16,17)18)12-19-11-8-14-6-5-7-14/h14H,3-13H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride has a molecular weight of 324.91 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride is sourced from PubChem (CID 114158126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).