2-pent-4-en-2-ylsulfonyloxane

C10H18O3S — CID 67262074

IUPAC2-pent-4-en-2-ylsulfonyloxane
SMILESC=CCC(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C10H18O3S/c1-3-6-9(2)14(11,12)10-7-4-5-8-13-10/h3,9-10H,1,4-8H2,2H3
InChIKeyRGOBGYUFYWONHJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.89
Rot. Bonds4

About 2-pent-4-en-2-ylsulfonyloxane

2-pent-4-en-2-ylsulfonyloxane (PubChem CID 67262074) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-pent-4-en-2-ylsulfonyloxane.

Molecular Properties

Compound Name2-pent-4-en-2-ylsulfonyloxane
PubChem CID67262074
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-pent-4-en-2-ylsulfonyloxane
SMILESC=CCC(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C10H18O3S/c1-3-6-9(2)14(11,12)10-7-4-5-8-13-10/h3,9-10H,1,4-8H2,2H3
InChIKeyRGOBGYUFYWONHJ-UHFFFAOYSA-N
XLogP1.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162418091
CID 162418091
CID 162786691
CID 162786691
CID 67543351
CID 67543351
CID 161017510
CID 161017510
CID 176163496
CID 176163496
CID 130667626
CID 130667626
CID 131235657
CID 131235657
CID 145628759
CID 145628759

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-en-2-ylsulfonyloxane?
The IUPAC name of 2-pent-4-en-2-ylsulfonyloxane (CID 67262074) is 2-pent-4-en-2-ylsulfonyloxane.
What is the SMILES notation for 2-pent-4-en-2-ylsulfonyloxane?
The canonical SMILES for 2-pent-4-en-2-ylsulfonyloxane is C=CCC(C)S(=O)(=O)C1CCCCO1.
What is the InChIKey of 2-pent-4-en-2-ylsulfonyloxane?
The InChIKey is RGOBGYUFYWONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-6-9(2)14(11,12)10-7-4-5-8-13-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-pent-4-en-2-ylsulfonyloxane?
2-pent-4-en-2-ylsulfonyloxane has a molecular weight of 218.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-en-2-ylsulfonyloxane is sourced from PubChem (CID 67262074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).