3-(1-methoxyethoxy)propylsulfonylcyclohexane

C12H24O4S — CID 20729142

IUPAC3-(1-methoxyethoxy)propylsulfonylcyclohexane
SMILESCOC(C)OCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24O4S/c1-11(15-2)16-9-6-10-17(13,14)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3
InChIKeyRINREITYORETAH-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.13
Rot. Bonds7

About 3-(1-methoxyethoxy)propylsulfonylcyclohexane

3-(1-methoxyethoxy)propylsulfonylcyclohexane (PubChem CID 20729142) has the molecular formula C12H24O4S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)propylsulfonylcyclohexane.

Molecular Properties

Compound Name3-(1-methoxyethoxy)propylsulfonylcyclohexane
PubChem CID20729142
Molecular FormulaC12H24O4S
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name3-(1-methoxyethoxy)propylsulfonylcyclohexane
SMILESCOC(C)OCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24O4S/c1-11(15-2)16-9-6-10-17(13,14)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3
InChIKeyRINREITYORETAH-UHFFFAOYSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethoxy)propylsulfonylcyclohexane?
The IUPAC name of 3-(1-methoxyethoxy)propylsulfonylcyclohexane (CID 20729142) is 3-(1-methoxyethoxy)propylsulfonylcyclohexane.
What is the SMILES notation for 3-(1-methoxyethoxy)propylsulfonylcyclohexane?
The canonical SMILES for 3-(1-methoxyethoxy)propylsulfonylcyclohexane is COC(C)OCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-(1-methoxyethoxy)propylsulfonylcyclohexane?
The InChIKey is RINREITYORETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S/c1-11(15-2)16-9-6-10-17(13,14)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(1-methoxyethoxy)propylsulfonylcyclohexane?
3-(1-methoxyethoxy)propylsulfonylcyclohexane has a molecular weight of 264.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)propylsulfonylcyclohexane is sourced from PubChem (CID 20729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).