2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride

C9H19ClO4S — CID 64999800

IUPAC2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COCCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C9H19ClO4S/c1-3-9(8-15(10,11)12)7-14-6-4-5-13-2/h9H,3-8H2,1-2H3
InChIKeyRDBUFPWOFYKOPJ-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.63
Rot. Bonds9

About 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride

2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride (PubChem CID 64999800) has the molecular formula C9H19ClO4S and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
PubChem CID64999800
Molecular FormulaC9H19ClO4S
Molecular Weight258.77 g/mol
Exact Mass258.07
IUPAC Name2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COCCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C9H19ClO4S/c1-3-9(8-15(10,11)12)7-14-6-4-5-13-2/h9H,3-8H2,1-2H3
InChIKeyRDBUFPWOFYKOPJ-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.63
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-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(2-ethylbutoxy)ethanesulfonyl chloride
CID 165490074
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
1-(2-ethylbutoxy)decane
CID 22002893
1-bromo-2-(3-methoxypropoxymethyl)pentane
CID 65010988
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
1-(ethylsulfonylmethoxy)-3-methoxypropane;methane
CID 158872011
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
CID 102723439

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride?
The IUPAC name of 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride (CID 64999800) is 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride is CCC(COCCCOC)CS(=O)(=O)Cl.
What is the InChIKey of 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride?
The InChIKey is RDBUFPWOFYKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO4S/c1-3-9(8-15(10,11)12)7-14-6-4-5-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride?
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride has a molecular weight of 258.77 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 64999800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).