1-prop-2-enylsulfonylhexane

C9H18O2S — CID 26365912

IUPAC1-prop-2-enylsulfonylhexane
SMILESC=CCS(=O)(=O)CCCCCC
InChIInChI=1S/C9H18O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h4H,2-3,5-9H2,1H3
InChIKeyAVAKAMLGSXJLGD-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.17
Rot. Bonds7

About 1-prop-2-enylsulfonylhexane

1-prop-2-enylsulfonylhexane (PubChem CID 26365912) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylhexane.

Molecular Properties

Compound Name1-prop-2-enylsulfonylhexane
PubChem CID26365912
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1-prop-2-enylsulfonylhexane
SMILESC=CCS(=O)(=O)CCCCCC
InChIInChI=1S/C9H18O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h4H,2-3,5-9H2,1H3
InChIKeyAVAKAMLGSXJLGD-UHFFFAOYSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.17
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

5-prop-2-enylsulfonylpentan-1-amine
CID 87785063
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
octylsulfonylmethanol
CID 71381698
1-(fluoromethylsulfonyl)octane
CID 177406773
1-(chloromethylsulfonyl)octane
CID 4612846
N,N-bis(prop-2-enyl)octane-1-sulfonamide
CID 88561748
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfonylhexane?
The IUPAC name of 1-prop-2-enylsulfonylhexane (CID 26365912) is 1-prop-2-enylsulfonylhexane.
What is the SMILES notation for 1-prop-2-enylsulfonylhexane?
The canonical SMILES for 1-prop-2-enylsulfonylhexane is C=CCS(=O)(=O)CCCCCC.
What is the InChIKey of 1-prop-2-enylsulfonylhexane?
The InChIKey is AVAKAMLGSXJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of 1-prop-2-enylsulfonylhexane?
1-prop-2-enylsulfonylhexane has a molecular weight of 190.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylhexane is sourced from PubChem (CID 26365912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).