2,2-dimethoxyethylsulfanylcyclohexane

C10H20O2S — CID 66221293

IUPAC2,2-dimethoxyethylsulfanylcyclohexane
SMILESCOC(CSC1CCCCC1)OC
InChIInChI=1S/C10H20O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyAMGASAZSIRLSRK-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.67
Rot. Bonds5

About 2,2-dimethoxyethylsulfanylcyclohexane

2,2-dimethoxyethylsulfanylcyclohexane (PubChem CID 66221293) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 2,2-dimethoxyethylsulfanylcyclohexane.

Molecular Properties

Compound Name2,2-dimethoxyethylsulfanylcyclohexane
PubChem CID66221293
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name2,2-dimethoxyethylsulfanylcyclohexane
SMILESCOC(CSC1CCCCC1)OC
InChIInChI=1S/C10H20O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyAMGASAZSIRLSRK-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethylsulfanylcyclohexane?
The IUPAC name of 2,2-dimethoxyethylsulfanylcyclohexane (CID 66221293) is 2,2-dimethoxyethylsulfanylcyclohexane.
What is the SMILES notation for 2,2-dimethoxyethylsulfanylcyclohexane?
The canonical SMILES for 2,2-dimethoxyethylsulfanylcyclohexane is COC(CSC1CCCCC1)OC.
What is the InChIKey of 2,2-dimethoxyethylsulfanylcyclohexane?
The InChIKey is AMGASAZSIRLSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethoxyethylsulfanylcyclohexane?
2,2-dimethoxyethylsulfanylcyclohexane has a molecular weight of 204.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethylsulfanylcyclohexane is sourced from PubChem (CID 66221293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).