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

C13H27ClO4S — CID 65005056

IUPAC2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride
SMILESCCCC(CCC)(COCCOCC)CS(=O)(=O)Cl
InChIInChI=1S/C13H27ClO4S/c1-4-7-13(8-5-2,12-19(14,15)16)11-18-10-9-17-6-3/h4-12H2,1-3H3
InChIKeyJKUCTYCRCMZLIO-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.19
Rot. Bonds12

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

2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride (PubChem CID 65005056) has the molecular formula C13H27ClO4S and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride
PubChem CID65005056
Molecular FormulaC13H27ClO4S
Molecular Weight314.88 g/mol
Exact Mass314.13
IUPAC Name2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride
SMILESCCCC(CCC)(COCCOCC)CS(=O)(=O)Cl
InChIInChI=1S/C13H27ClO4S/c1-4-7-13(8-5-2,12-19(14,15)16)11-18-10-9-17-6-3/h4-12H2,1-3H3
InChIKeyJKUCTYCRCMZLIO-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 65005057
2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 114158126
2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
CID 113427535
2-[(4-methylcyclohexyl)oxymethyl]-2-propylpentane-1-sulfonyl chloride
CID 65005103
2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
CID 90299737
3-heptoxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999861
4,4-bis(ethoxymethyl)heptane;5,5-bis(ethoxymethyl)nonane
CID 159037908
4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
CID 65006184
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
CID 103407379

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride (CID 65005056) is 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride is CCCC(CCC)(COCCOCC)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
The InChIKey is JKUCTYCRCMZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO4S/c1-4-7-13(8-5-2,12-19(14,15)16)11-18-10-9-17-6-3/h4-12H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride?
2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride has a molecular weight of 314.88 g/mol, XLogP of 3.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride is sourced from PubChem (CID 65005056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).