2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride

C10H19ClO3S — CID 114342697

IUPAC2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
SMILESCC1(C)CCC(OCCS(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO3S/c1-10(2)5-3-9(4-6-10)14-7-8-15(11,12)13/h9H,3-8H2,1-2H3
InChIKeyPJUYFDCQWQLALB-UHFFFAOYSA-N
MW254.78 g/mol
LogP2.54
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride

2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride (PubChem CID 114342697) has the molecular formula C10H19ClO3S and a molecular weight of 254.78 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
PubChem CID114342697
Molecular FormulaC10H19ClO3S
Molecular Weight254.78 g/mol
Exact Mass254.07
IUPAC Name2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
SMILESCC1(C)CCC(OCCS(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO3S/c1-10(2)5-3-9(4-6-10)14-7-8-15(11,12)13/h9H,3-8H2,1-2H3
InChIKeyPJUYFDCQWQLALB-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride (CID 114342697) is 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride is CC1(C)CCC(OCCS(=O)(=O)Cl)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride?
The InChIKey is PJUYFDCQWQLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3S/c1-10(2)5-3-9(4-6-10)14-7-8-15(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride?
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride has a molecular weight of 254.78 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride is sourced from PubChem (CID 114342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).