[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride

C10H19ClO5S — CID 65004170

IUPAC[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCCOCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C10H19ClO5S/c1-14-6-7-16-8-10(9-17(11,12)13)2-4-15-5-3-10/h2-9H2,1H3
InChIKeyCVHWLHGXSRWRFE-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.01
Rot. Bonds7

About [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride

[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004170) has the molecular formula C10H19ClO5S and a molecular weight of 286.78 g/mol. Its IUPAC name is [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID65004170
Molecular FormulaC10H19ClO5S
Molecular Weight286.78 g/mol
Exact Mass286.06
IUPAC Name[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCCOCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C10H19ClO5S/c1-14-6-7-16-8-10(9-17(11,12)13)2-4-15-5-3-10/h2-9H2,1H3
InChIKeyCVHWLHGXSRWRFE-UHFFFAOYSA-N
XLogP1.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 65004170) is [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride is COCCOCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is CVHWLHGXSRWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO5S/c1-14-6-7-16-8-10(9-17(11,12)13)2-4-15-5-3-10/h2-9H2,1H3.
What are the key properties of [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 286.78 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).