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

C10H19ClO4S — CID 64999420

IUPAC2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COC1CCOCC1)CS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO4S/c1-2-9(8-16(11,12)13)7-15-10-3-5-14-6-4-10/h9-10H,2-8H2,1H3
InChIKeyCHNGMTOOGVDTAA-UHFFFAOYSA-N
MW270.78 g/mol
LogP1.78
Rot. Bonds6

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

2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride (PubChem CID 64999420) has the molecular formula C10H19ClO4S and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
PubChem CID64999420
Molecular FormulaC10H19ClO4S
Molecular Weight270.78 g/mol
Exact Mass270.07
IUPAC Name2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COC1CCOCC1)CS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO4S/c1-2-9(8-16(11,12)13)7-15-10-3-5-14-6-4-10/h9-10H,2-8H2,1H3
InChIKeyCHNGMTOOGVDTAA-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 51.78
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)butane-1-sulfonyl chloride?
The IUPAC name of 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride (CID 64999420) is 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride is CCC(COC1CCOCC1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride?
The InChIKey is CHNGMTOOGVDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO4S/c1-2-9(8-16(11,12)13)7-15-10-3-5-14-6-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride?
2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride has a molecular weight of 270.78 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 64999420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).