2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride

C11H23ClO4S — CID 103490993

IUPAC2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC(C)COCC)CS(=O)(=O)Cl
InChIInChI=1S/C11H23ClO4S/c1-4-6-11(9-17(12,13)14)8-16-10(3)7-15-5-2/h10-11H,4-9H2,1-3H3
InChIKeyPMUWNIUJJYWXAR-UHFFFAOYSA-N
MW286.82 g/mol
LogP2.41
Rot. Bonds10

About 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride

2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride (PubChem CID 103490993) has the molecular formula C11H23ClO4S and a molecular weight of 286.82 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
PubChem CID103490993
Molecular FormulaC11H23ClO4S
Molecular Weight286.82 g/mol
Exact Mass286.10
IUPAC Name2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC(C)COCC)CS(=O)(=O)Cl
InChIInChI=1S/C11H23ClO4S/c1-4-6-11(9-17(12,13)14)8-16-10(3)7-15-5-2/h10-11H,4-9H2,1-3H3
InChIKeyPMUWNIUJJYWXAR-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propanesulfonic acid, 3-(1,3-dimethylbutoxy)-2-hydroxy-, sodium salt (1:1)
CID 23668624
2-Hydroxy-3-(4-methylpentan-2-yloxy)propane-1-sulfonic acid
CID 108531
2-(1-Hexan-2-yloxypropan-2-yloxy)ethanesulfonate
CID 20656404
5,6-Dimethoxy-3-methylhexane-1-sulfonate
CID 22945239
Tert-butyl 5-(2-methoxyethoxy)pentane-1-sulfonate
CID 58408956
3,5-Bis(2-methoxypropoxy)pentane-1-sulfonate
CID 59892870
(3-Ethylsulfonyloxy-4-methylpentan-2-yl) ethanesulfonate
CID 89439888
Sodium 4-[2-[2-(2-methylhexoxy)ethoxy]ethoxy]butane-1-sulfonate
CID 90169395
2-(3-Methylbutoxy)ethyl ethanesulfonate
CID 139845377
(2,4-Dimethyloxolan-3-yl) propane-1-sulfonate
CID 163488838
4-(2-Methylbutoxy)-3-propyloxathiolane 2,2-dioxide
CID 164025108
4,4,6,7-Tetramethyl-7-propan-2-yl-1,5,2-dioxathiepane 2,2-dioxide
CID 170114744

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride (CID 103490993) is 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride is CCCC(COC(C)COCC)CS(=O)(=O)Cl.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is PMUWNIUJJYWXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO4S/c1-4-6-11(9-17(12,13)14)8-16-10(3)7-15-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 286.82 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 103490993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).