ethoxymethylsulfanylmethylcyclopropane

C7H14OS — CID 131067555

IUPACethoxymethylsulfanylmethylcyclopropane
SMILESCCOCSCC1CC1
InChIInChI=1S/C7H14OS/c1-2-8-6-9-5-7-3-4-7/h7H,2-6H2,1H3
InChIKeyHNQUROIHWQMSKW-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds5

About ethoxymethylsulfanylmethylcyclopropane

ethoxymethylsulfanylmethylcyclopropane (PubChem CID 131067555) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is ethoxymethylsulfanylmethylcyclopropane.

Molecular Properties

Compound Nameethoxymethylsulfanylmethylcyclopropane
PubChem CID131067555
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Nameethoxymethylsulfanylmethylcyclopropane
SMILESCCOCSCC1CC1
InChIInChI=1S/C7H14OS/c1-2-8-6-9-5-7-3-4-7/h7H,2-6H2,1H3
InChIKeyHNQUROIHWQMSKW-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

5-Methyl-1,3-oxathiane
CID 544309
2-(2-Methylpropoxymethyl)thiirane
CID 12743358
O-ethyl isobutyl xanthate
CID 121263301
(5S)-5-methyl-1,3-oxathiane
CID 642753
1-(Ethylsulfanyl)-1-methoxy-2-methylpropane
CID 13228615
1-Methoxy-3-methylsulfanylpropane
CID 20652631
1-(Ethoxymethylsulfanyl)propane
CID 23468387
2-Methoxyethylsulfanylcyclopropane
CID 52141661
1-(2-Methoxyethylsulfanyl)-2-methylpropane
CID 52141712
1-(Methoxymethylsulfanyl)-2-methylpropane
CID 85776150
1-Methoxy-2-methyl-3-methylsulfanylpropane
CID 87455583
(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane
CID 89054726

Frequently Asked Questions

What is the IUPAC name of ethoxymethylsulfanylmethylcyclopropane?
The IUPAC name of ethoxymethylsulfanylmethylcyclopropane (CID 131067555) is ethoxymethylsulfanylmethylcyclopropane.
What is the SMILES notation for ethoxymethylsulfanylmethylcyclopropane?
The canonical SMILES for ethoxymethylsulfanylmethylcyclopropane is CCOCSCC1CC1.
What is the InChIKey of ethoxymethylsulfanylmethylcyclopropane?
The InChIKey is HNQUROIHWQMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-8-6-9-5-7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of ethoxymethylsulfanylmethylcyclopropane?
ethoxymethylsulfanylmethylcyclopropane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylsulfanylmethylcyclopropane is sourced from PubChem (CID 131067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).