1-prop-2-enylsulfonylpentane

C8H16O2S — CID 10976033

IUPAC1-prop-2-enylsulfonylpentane
SMILESC=CCS(=O)(=O)CCCCC
InChIInChI=1S/C8H16O2S/c1-3-5-6-8-11(9,10)7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyDPQKGOHQHGDCIN-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.78
Rot. Bonds6

About 1-prop-2-enylsulfonylpentane

1-prop-2-enylsulfonylpentane (PubChem CID 10976033) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylpentane.

Molecular Properties

Compound Name1-prop-2-enylsulfonylpentane
PubChem CID10976033
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name1-prop-2-enylsulfonylpentane
SMILESC=CCS(=O)(=O)CCCCC
InChIInChI=1S/C8H16O2S/c1-3-5-6-8-11(9,10)7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyDPQKGOHQHGDCIN-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.78
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'}

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Related Compounds

3-Methanesulfonylprop-1-ene
CID 140048
Diallyl sulfone
CID 159797
(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286934
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
CID 88657773
Sulfone, hexyl vinyl
CID 89117
(E)-1-(prop-2-enyldisulfanyl)-3-propylsulfinylprop-1-ene
CID 44580520
(Z)-1-(prop-2-enyldisulfanyl)-3-propylsulfinylprop-1-ene
CID 44580521
(E)-1-(propyldisulfanyl)-3-propylsulfinylprop-1-ene
CID 44814456
3-(Ethylsulphonyl)-1-propene
CID 141864
Butane, 1-((3-(2-propenylsulfinyl)-1-propenyl)sulfinyl)-
CID 6449028
Pentane, 1-((3-(2-propenylsulfinyl)-1-propenyl)sulfinyl)-
CID 6449030
(Z)-1-(propyldisulfanyl)-3-propylsulfinylprop-1-ene
CID 44814457

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfonylpentane?
The IUPAC name of 1-prop-2-enylsulfonylpentane (CID 10976033) is 1-prop-2-enylsulfonylpentane.
What is the SMILES notation for 1-prop-2-enylsulfonylpentane?
The canonical SMILES for 1-prop-2-enylsulfonylpentane is C=CCS(=O)(=O)CCCCC.
What is the InChIKey of 1-prop-2-enylsulfonylpentane?
The InChIKey is DPQKGOHQHGDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-5-6-8-11(9,10)7-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-prop-2-enylsulfonylpentane?
1-prop-2-enylsulfonylpentane has a molecular weight of 176.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylpentane is sourced from PubChem (CID 10976033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).