non-6-enyl methanesulfonate

C10H20O3S — CID 54395599

IUPACnon-6-enyl methanesulfonate
SMILESCCC=CCCCCCOS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h4-5H,3,6-10H2,1-2H3
InChIKeyVJRXWWVGRUXXJM-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.49
Rot. Bonds8

About non-6-enyl methanesulfonate

non-6-enyl methanesulfonate (PubChem CID 54395599) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is non-6-enyl methanesulfonate.

Molecular Properties

Compound Namenon-6-enyl methanesulfonate
PubChem CID54395599
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Namenon-6-enyl methanesulfonate
SMILESCCC=CCCCCCOS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h4-5H,3,6-10H2,1-2H3
InChIKeyVJRXWWVGRUXXJM-UHFFFAOYSA-N
XLogP2.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.49
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 non-6-enyl methanesulfonate?
The IUPAC name of non-6-enyl methanesulfonate (CID 54395599) is non-6-enyl methanesulfonate.
What is the SMILES notation for non-6-enyl methanesulfonate?
The canonical SMILES for non-6-enyl methanesulfonate is CCC=CCCCCCOS(C)(=O)=O.
What is the InChIKey of non-6-enyl methanesulfonate?
The InChIKey is VJRXWWVGRUXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-4-5-6-7-8-9-10-13-14(2,11)12/h4-5H,3,6-10H2,1-2H3.
What are the key properties of non-6-enyl methanesulfonate?
non-6-enyl methanesulfonate has a molecular weight of 220.33 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for non-6-enyl methanesulfonate is sourced from PubChem (CID 54395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).