[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride

C8H15ClO4S — CID 65004875

IUPAC[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C8H15ClO4S/c1-12-6-8(7-14(9,10)11)2-4-13-5-3-8/h2-7H2,1H3
InChIKeyPJKDHABGPCLSEK-UHFFFAOYSA-N
MW242.72 g/mol
LogP1.00
Rot. Bonds4

About [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride

[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004875) has the molecular formula C8H15ClO4S and a molecular weight of 242.72 g/mol. Its IUPAC name is [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID65004875
Molecular FormulaC8H15ClO4S
Molecular Weight242.72 g/mol
Exact Mass242.04
IUPAC Name[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C8H15ClO4S/c1-12-6-8(7-14(9,10)11)2-4-13-5-3-8/h2-7H2,1H3
InChIKeyPJKDHABGPCLSEK-UHFFFAOYSA-N
XLogP1.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyloxan-3-yl)methanesulfonylchloride
CID 105466432
(4-Ethoxyoxan-4-yl)methanesulfonyl chloride
CID 105503896
2-Methyl-2-(oxan-4-yl)propane-1-sulfonyl chloride
CID 115044010
6-Oxaspiro(2.5)octane-1-sulfonyl chloride
CID 132351227
(4-(1,1-Difluoroethyl)oxan-4-yl)methanesulfonyl chloride
CID 132398782
(4-(Fluoromethyl)oxan-4-yl)methanesulfonyl chloride
CID 155970587
(4-Ethyloxan-4-yl)methanesulfonylchloride
CID 165457985
[4-(Propan-2-yl)oxan-4-yl]methanesulfonyl chloride
CID 165948521
Methyl 2-(4-fluorooxan-4-yl)ethanesulfonate
CID 168873096
[4-(2,2,2-Trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004826
[4-(1,1,1-Trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 66277489
[4-(2,2-Difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 82008968

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 65004875) is [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride is COCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is PJKDHABGPCLSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO4S/c1-12-6-8(7-14(9,10)11)2-4-13-5-3-8/h2-7H2,1H3.
What are the key properties of [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 242.72 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).