3-pent-1-en-3-ylsulfonylpent-1-ene

C10H18O2S — CID 87156214

IUPAC3-pent-1-en-3-ylsulfonylpent-1-ene
SMILESC=CC(CC)S(=O)(=O)C(C=C)CC
InChIInChI=1S/C10H18O2S/c1-5-9(6-2)13(11,12)10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3
InChIKeyBXSFSNRPRJVGKQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.33
Rot. Bonds6

About 3-pent-1-en-3-ylsulfonylpent-1-ene

3-pent-1-en-3-ylsulfonylpent-1-ene (PubChem CID 87156214) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-pent-1-en-3-ylsulfonylpent-1-ene.

Molecular Properties

Compound Name3-pent-1-en-3-ylsulfonylpent-1-ene
PubChem CID87156214
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-pent-1-en-3-ylsulfonylpent-1-ene
SMILESC=CC(CC)S(=O)(=O)C(C=C)CC
InChIInChI=1S/C10H18O2S/c1-5-9(6-2)13(11,12)10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3
InChIKeyBXSFSNRPRJVGKQ-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-1-en-3-ylsulfonylpent-1-ene?
The IUPAC name of 3-pent-1-en-3-ylsulfonylpent-1-ene (CID 87156214) is 3-pent-1-en-3-ylsulfonylpent-1-ene.
What is the SMILES notation for 3-pent-1-en-3-ylsulfonylpent-1-ene?
The canonical SMILES for 3-pent-1-en-3-ylsulfonylpent-1-ene is C=CC(CC)S(=O)(=O)C(C=C)CC.
What is the InChIKey of 3-pent-1-en-3-ylsulfonylpent-1-ene?
The InChIKey is BXSFSNRPRJVGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-5-9(6-2)13(11,12)10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3.
What are the key properties of 3-pent-1-en-3-ylsulfonylpent-1-ene?
3-pent-1-en-3-ylsulfonylpent-1-ene has a molecular weight of 202.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-en-3-ylsulfonylpent-1-ene is sourced from PubChem (CID 87156214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).