3-cyclohexylprop-2-enyl methanesulfonate

C10H18O3S — CID 54376128

IUPAC3-cyclohexylprop-2-enyl methanesulfonate
SMILESCS(=O)(=O)OCC=CC1CCCCC1
InChIInChI=1S/C10H18O3S/c1-14(11,12)13-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyUWPIWDAIFVVKMS-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.10
Rot. Bonds4

About 3-cyclohexylprop-2-enyl methanesulfonate

3-cyclohexylprop-2-enyl methanesulfonate (PubChem CID 54376128) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-cyclohexylprop-2-enyl methanesulfonate.

Molecular Properties

Compound Name3-cyclohexylprop-2-enyl methanesulfonate
PubChem CID54376128
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-cyclohexylprop-2-enyl methanesulfonate
SMILESCS(=O)(=O)OCC=CC1CCCCC1
InChIInChI=1S/C10H18O3S/c1-14(11,12)13-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyUWPIWDAIFVVKMS-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-2-enyl methanesulfonate?
The IUPAC name of 3-cyclohexylprop-2-enyl methanesulfonate (CID 54376128) is 3-cyclohexylprop-2-enyl methanesulfonate.
What is the SMILES notation for 3-cyclohexylprop-2-enyl methanesulfonate?
The canonical SMILES for 3-cyclohexylprop-2-enyl methanesulfonate is CS(=O)(=O)OCC=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-enyl methanesulfonate?
The InChIKey is UWPIWDAIFVVKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-14(11,12)13-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3.
What are the key properties of 3-cyclohexylprop-2-enyl methanesulfonate?
3-cyclohexylprop-2-enyl methanesulfonate has a molecular weight of 218.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-enyl methanesulfonate is sourced from PubChem (CID 54376128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).