[(E)-3-cyclohexylprop-2-enyl] methanesulfonate

C10H18O3S — CID 23317582

IUPAC[(E)-3-cyclohexylprop-2-enyl] methanesulfonate
SMILESCS(=O)(=O)OC/C=C/C1CCCCC1
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/b8-5+
InChIKeyUWPIWDAIFVVKMS-VMPITWQZSA-N
MW218.32 g/mol
LogP2.10
Rot. Bonds4

About [(E)-3-cyclohexylprop-2-enyl] methanesulfonate

[(E)-3-cyclohexylprop-2-enyl] methanesulfonate (PubChem CID 23317582) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] methanesulfonate
PubChem CID23317582
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] methanesulfonate
SMILESCS(=O)(=O)OC/C=C/C1CCCCC1
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/b8-5+
InChIKeyUWPIWDAIFVVKMS-VMPITWQZSA-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 [(E)-3-cyclohexylprop-2-enyl] methanesulfonate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] methanesulfonate (CID 23317582) is [(E)-3-cyclohexylprop-2-enyl] methanesulfonate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] methanesulfonate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] methanesulfonate is CS(=O)(=O)OC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] methanesulfonate?
The InChIKey is UWPIWDAIFVVKMS-VMPITWQZSA-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/b8-5+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] methanesulfonate?
[(E)-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 [(E)-3-cyclohexylprop-2-enyl] methanesulfonate is sourced from PubChem (CID 23317582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).