2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride

C11H21ClO4S — CID 65012606

IUPAC2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC1CCOCC1)CS(=O)(=O)Cl
InChIInChI=1S/C11H21ClO4S/c1-2-3-10(9-17(12,13)14)8-16-11-4-6-15-7-5-11/h10-11H,2-9H2,1H3
InChIKeyAYOQFBGSASNLOD-UHFFFAOYSA-N
MW284.80 g/mol
LogP2.17
Rot. Bonds7

About 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride

2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride (PubChem CID 65012606) has the molecular formula C11H21ClO4S and a molecular weight of 284.80 g/mol. Its IUPAC name is 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
PubChem CID65012606
Molecular FormulaC11H21ClO4S
Molecular Weight284.80 g/mol
Exact Mass284.08
IUPAC Name2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC1CCOCC1)CS(=O)(=O)Cl
InChIInChI=1S/C11H21ClO4S/c1-2-3-10(9-17(12,13)14)8-16-11-4-6-15-7-5-11/h10-11H,2-9H2,1H3
InChIKeyAYOQFBGSASNLOD-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride (CID 65012606) is 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride is CCCC(COC1CCOCC1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is AYOQFBGSASNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO4S/c1-2-3-10(9-17(12,13)14)8-16-11-4-6-15-7-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride?
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 284.80 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 65012606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).