5-pent-4-en-1-ynylsulfonylpent-1-ene

C10H14O2S — CID 56990907

IUPAC5-pent-4-en-1-ynylsulfonylpent-1-ene
SMILESC=CCC#CS(=O)(=O)CCCC=C
InChIInChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4H,1-2,5-7,9H2
InChIKeyXQVCRAPHMUODKN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.90
Rot. Bonds5

About 5-pent-4-en-1-ynylsulfonylpent-1-ene

5-pent-4-en-1-ynylsulfonylpent-1-ene (PubChem CID 56990907) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-pent-4-en-1-ynylsulfonylpent-1-ene.

Molecular Properties

Compound Name5-pent-4-en-1-ynylsulfonylpent-1-ene
PubChem CID56990907
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name5-pent-4-en-1-ynylsulfonylpent-1-ene
SMILESC=CCC#CS(=O)(=O)CCCC=C
InChIInChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4H,1-2,5-7,9H2
InChIKeyXQVCRAPHMUODKN-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pent-4-en-1-ynylsulfonylpent-1-ene?
The IUPAC name of 5-pent-4-en-1-ynylsulfonylpent-1-ene (CID 56990907) is 5-pent-4-en-1-ynylsulfonylpent-1-ene.
What is the SMILES notation for 5-pent-4-en-1-ynylsulfonylpent-1-ene?
The canonical SMILES for 5-pent-4-en-1-ynylsulfonylpent-1-ene is C=CCC#CS(=O)(=O)CCCC=C.
What is the InChIKey of 5-pent-4-en-1-ynylsulfonylpent-1-ene?
The InChIKey is XQVCRAPHMUODKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4H,1-2,5-7,9H2.
What are the key properties of 5-pent-4-en-1-ynylsulfonylpent-1-ene?
5-pent-4-en-1-ynylsulfonylpent-1-ene has a molecular weight of 198.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-en-1-ynylsulfonylpent-1-ene is sourced from PubChem (CID 56990907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).