8-cyclohexyloct-5-enyl methanesulfonate

C15H28O3S — CID 54040425

IUPAC8-cyclohexyloct-5-enyl methanesulfonate
SMILESCS(=O)(=O)OCCCCC=CCCC1CCCCC1
InChIInChI=1S/C15H28O3S/c1-19(16,17)18-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15/h2,4,15H,3,5-14H2,1H3
InChIKeyLLXRKXKBVIPWBC-UHFFFAOYSA-N
MW288.45 g/mol
LogP4.05
Rot. Bonds9

About 8-cyclohexyloct-5-enyl methanesulfonate

8-cyclohexyloct-5-enyl methanesulfonate (PubChem CID 54040425) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is 8-cyclohexyloct-5-enyl methanesulfonate.

Molecular Properties

Compound Name8-cyclohexyloct-5-enyl methanesulfonate
PubChem CID54040425
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Name8-cyclohexyloct-5-enyl methanesulfonate
SMILESCS(=O)(=O)OCCCCC=CCCC1CCCCC1
InChIInChI=1S/C15H28O3S/c1-19(16,17)18-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15/h2,4,15H,3,5-14H2,1H3
InChIKeyLLXRKXKBVIPWBC-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8-cyclohexyloct-5-enyl methanesulfonate?
The IUPAC name of 8-cyclohexyloct-5-enyl methanesulfonate (CID 54040425) is 8-cyclohexyloct-5-enyl methanesulfonate.
What is the SMILES notation for 8-cyclohexyloct-5-enyl methanesulfonate?
The canonical SMILES for 8-cyclohexyloct-5-enyl methanesulfonate is CS(=O)(=O)OCCCCC=CCCC1CCCCC1.
What is the InChIKey of 8-cyclohexyloct-5-enyl methanesulfonate?
The InChIKey is LLXRKXKBVIPWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3S/c1-19(16,17)18-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15/h2,4,15H,3,5-14H2,1H3.
What are the key properties of 8-cyclohexyloct-5-enyl methanesulfonate?
8-cyclohexyloct-5-enyl methanesulfonate has a molecular weight of 288.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyloct-5-enyl methanesulfonate is sourced from PubChem (CID 54040425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).