1-(1-methylcyclopropyl)ethyl methanesulfonate

C7H14O3S — CID 102620845

IUPAC1-(1-methylcyclopropyl)ethyl methanesulfonate
SMILESCC(OS(C)(=O)=O)C1(C)CC1
InChIInChI=1S/C7H14O3S/c1-6(7(2)4-5-7)10-11(3,8)9/h6H,4-5H2,1-3H3
InChIKeyQAOYGPIJZGJJGZ-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.15
Rot. Bonds3

About 1-(1-methylcyclopropyl)ethyl methanesulfonate

1-(1-methylcyclopropyl)ethyl methanesulfonate (PubChem CID 102620845) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)ethyl methanesulfonate.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)ethyl methanesulfonate
PubChem CID102620845
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-(1-methylcyclopropyl)ethyl methanesulfonate
SMILESCC(OS(C)(=O)=O)C1(C)CC1
InChIInChI=1S/C7H14O3S/c1-6(7(2)4-5-7)10-11(3,8)9/h6H,4-5H2,1-3H3
InChIKeyQAOYGPIJZGJJGZ-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,3-trimethyloxiran-2-yl)ethyl methanesulfonate
CID 135037964
1-fluoroethyl methanesulfonate
CID 21114842
[cyclopropyl-(1-methylcyclopropyl)sulfonylmethyl] methanesulfonate
CID 146443839
3-ethylpentan-2-yl methanesulfonate
CID 91373609
[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate
CID 59169501
sodium;hydride;1-hydroxyethyl methanesulfonate
CID 175023295
[1-(2-methylpropyl)cyclohexyl] methanesulfonate
CID 142794545
[(3R,6R)-2,7-dimethyl-6-methylsulfonyloxyoctan-3-yl] methanesulfonate
CID 134886096
but-3-yn-2-yl methanesulfonate
CID 5461178
3-methylpentan-2-yl methanesulfonate
CID 89448678
lithium [(2S)-but-3-yn-2-yl] methanesulfonate
CID 177397190
[(2R)-but-3-yn-2-yl] methanesulfonate
CID 11105518

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)ethyl methanesulfonate?
The IUPAC name of 1-(1-methylcyclopropyl)ethyl methanesulfonate (CID 102620845) is 1-(1-methylcyclopropyl)ethyl methanesulfonate.
What is the SMILES notation for 1-(1-methylcyclopropyl)ethyl methanesulfonate?
The canonical SMILES for 1-(1-methylcyclopropyl)ethyl methanesulfonate is CC(OS(C)(=O)=O)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)ethyl methanesulfonate?
The InChIKey is QAOYGPIJZGJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6(7(2)4-5-7)10-11(3,8)9/h6H,4-5H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)ethyl methanesulfonate?
1-(1-methylcyclopropyl)ethyl methanesulfonate has a molecular weight of 178.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)ethyl methanesulfonate is sourced from PubChem (CID 102620845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).