1-ethylsulfonylpent-1-ene

C7H14O2S — CID 57276747

IUPAC1-ethylsulfonylpent-1-ene
SMILESCCCC=CS(=O)(=O)CC
InChIInChI=1S/C7H14O2S/c1-3-5-6-7-10(8,9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyYGADAGSBEMIZGK-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.73
Rot. Bonds4

About 1-ethylsulfonylpent-1-ene

1-ethylsulfonylpent-1-ene (PubChem CID 57276747) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-ethylsulfonylpent-1-ene.

Molecular Properties

Compound Name1-ethylsulfonylpent-1-ene
PubChem CID57276747
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name1-ethylsulfonylpent-1-ene
SMILESCCCC=CS(=O)(=O)CC
InChIInChI=1S/C7H14O2S/c1-3-5-6-7-10(8,9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyYGADAGSBEMIZGK-UHFFFAOYSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl pent-1-ene-1-sulfonate
CID 76785645
1-chloro-2-ethylsulfonylethene
CID 57135482
prop-2-enyl pent-1-ene-1-sulfonate
CID 123535532
N-[(E)-pent-1-enyl]sulfonylformamide
CID 87905043
(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
CID 99990264
2,2,2-trifluoroethyl (E)-pent-1-ene-1-sulfonate
CID 88547783
1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
CID 57048521
pent-1-enyl methanesulfonate
CID 86627662
CID 172829566
CID 172829566
1-(bromomethylsulfonyl)dec-1-ene
CID 54400319
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpent-1-ene?
The IUPAC name of 1-ethylsulfonylpent-1-ene (CID 57276747) is 1-ethylsulfonylpent-1-ene.
What is the SMILES notation for 1-ethylsulfonylpent-1-ene?
The canonical SMILES for 1-ethylsulfonylpent-1-ene is CCCC=CS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonylpent-1-ene?
The InChIKey is YGADAGSBEMIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-5-6-7-10(8,9)4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonylpent-1-ene?
1-ethylsulfonylpent-1-ene has a molecular weight of 162.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpent-1-ene is sourced from PubChem (CID 57276747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).