[(Z)-undec-4-enyl] methanesulfonate

C12H24O3S — CID 14428356

IUPAC[(Z)-undec-4-enyl] methanesulfonate
SMILESCCCCCC/C=C\CCCOS(C)(=O)=O
InChIInChI=1S/C12H24O3S/c1-3-4-5-6-7-8-9-10-11-12-15-16(2,13)14/h8-9H,3-7,10-12H2,1-2H3/b9-8-
InChIKeyPAQXSSJCNSTHFS-HJWRWDBZSA-N
MW248.39 g/mol
LogP3.27
Rot. Bonds10

About [(Z)-undec-4-enyl] methanesulfonate

[(Z)-undec-4-enyl] methanesulfonate (PubChem CID 14428356) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is [(Z)-undec-4-enyl] methanesulfonate.

Molecular Properties

Compound Name[(Z)-undec-4-enyl] methanesulfonate
PubChem CID14428356
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name[(Z)-undec-4-enyl] methanesulfonate
SMILESCCCCCC/C=C\CCCOS(C)(=O)=O
InChIInChI=1S/C12H24O3S/c1-3-4-5-6-7-8-9-10-11-12-15-16(2,13)14/h8-9H,3-7,10-12H2,1-2H3/b9-8-
InChIKeyPAQXSSJCNSTHFS-HJWRWDBZSA-N
XLogP3.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.27
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 [(Z)-undec-4-enyl] methanesulfonate?
The IUPAC name of [(Z)-undec-4-enyl] methanesulfonate (CID 14428356) is [(Z)-undec-4-enyl] methanesulfonate.
What is the SMILES notation for [(Z)-undec-4-enyl] methanesulfonate?
The canonical SMILES for [(Z)-undec-4-enyl] methanesulfonate is CCCCCC/C=C\CCCOS(C)(=O)=O.
What is the InChIKey of [(Z)-undec-4-enyl] methanesulfonate?
The InChIKey is PAQXSSJCNSTHFS-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H24O3S/c1-3-4-5-6-7-8-9-10-11-12-15-16(2,13)14/h8-9H,3-7,10-12H2,1-2H3/b9-8-.
What are the key properties of [(Z)-undec-4-enyl] methanesulfonate?
[(Z)-undec-4-enyl] methanesulfonate has a molecular weight of 248.39 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-undec-4-enyl] methanesulfonate is sourced from PubChem (CID 14428356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).