[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride

C9H17ClO3S — CID 138040512

IUPAC[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride
SMILESCC(C)(C)OC1CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C9H17ClO3S/c1-9(2,3)13-8-4-7(5-8)6-14(10,11)12/h7-8H,4-6H2,1-3H3
InChIKeyRTSJLQYTTQCYJA-UHFFFAOYSA-N
MW240.75 g/mol
LogP2.15
Rot. Bonds3

About [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride

[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride (PubChem CID 138040512) has the molecular formula C9H17ClO3S and a molecular weight of 240.75 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride
PubChem CID138040512
Molecular FormulaC9H17ClO3S
Molecular Weight240.75 g/mol
Exact Mass240.06
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride
SMILESCC(C)(C)OC1CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C9H17ClO3S/c1-9(2,3)13-8-4-7(5-8)6-14(10,11)12/h7-8H,4-6H2,1-3H3
InChIKeyRTSJLQYTTQCYJA-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride (CID 138040512) is [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride is CC(C)(C)OC1CC(CS(=O)(=O)Cl)C1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride?
The InChIKey is RTSJLQYTTQCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO3S/c1-9(2,3)13-8-4-7(5-8)6-14(10,11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride?
[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride has a molecular weight of 240.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 138040512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).