[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride

C11H21ClO4S — CID 65004420

IUPAC[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
SMILESCC(C)(C)OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C11H21ClO4S/c1-10(2,3)16-8-11(9-17(12,13)14)4-6-15-7-5-11/h4-9H2,1-3H3
InChIKeyJFPOYCTWISNUIE-UHFFFAOYSA-N
MW284.80 g/mol
LogP2.17
Rot. Bonds4

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

[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004420) has the molecular formula C11H21ClO4S and a molecular weight of 284.80 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
PubChem CID65004420
Molecular FormulaC11H21ClO4S
Molecular Weight284.80 g/mol
Exact Mass284.08
IUPAC Name[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
SMILESCC(C)(C)OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C11H21ClO4S/c1-10(2,3)16-8-11(9-17(12,13)14)4-6-15-7-5-11/h4-9H2,1-3H3
InChIKeyJFPOYCTWISNUIE-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004880
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
[4-[(2,6-dimethylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004262
[4-(octan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004369
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[4-[(2-chloro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004623
[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004571
[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
CID 125041432
(1-ethylcyclopropyl)methanesulfonyl chloride
CID 84658824

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride (CID 65004420) is [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride is CC(C)(C)OCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The InChIKey is JFPOYCTWISNUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO4S/c1-10(2,3)16-8-11(9-17(12,13)14)4-6-15-7-5-11/h4-9H2,1-3H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride has a molecular weight of 284.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).