1-(chlorosulfonyloxymethyl)-1-methylcyclohexane

C8H15ClO3S — CID 86167613

IUPAC1-(chlorosulfonyloxymethyl)-1-methylcyclohexane
SMILESCC1(COS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H15ClO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3
InChIKeyYXECZUONZGVWOE-UHFFFAOYSA-N
MW226.72 g/mol
LogP2.46
Rot. Bonds3

About 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane

1-(chlorosulfonyloxymethyl)-1-methylcyclohexane (PubChem CID 86167613) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(chlorosulfonyloxymethyl)-1-methylcyclohexane
PubChem CID86167613
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name1-(chlorosulfonyloxymethyl)-1-methylcyclohexane
SMILESCC1(COS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H15ClO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3
InChIKeyYXECZUONZGVWOE-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane?
The IUPAC name of 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane (CID 86167613) is 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane.
What is the SMILES notation for 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane?
The canonical SMILES for 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane is CC1(COS(=O)(=O)Cl)CCCCC1.
What is the InChIKey of 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane?
The InChIKey is YXECZUONZGVWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3.
What are the key properties of 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane?
1-(chlorosulfonyloxymethyl)-1-methylcyclohexane has a molecular weight of 226.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chlorosulfonyloxymethyl)-1-methylcyclohexane is sourced from PubChem (CID 86167613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).