1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene

C15H22O2S — CID 83926747

IUPAC1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene
SMILESC/C=C\CC(C)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C15H22O2S/c1-4-6-8-13(3)14-9-7-10-15(12-14)18(16,17)11-5-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3/b6-4-
InChIKeyRFIUSFBJMDKKMA-XQRVVYSFSA-N
MW266.41 g/mol
LogP3.94
Rot. Bonds6

About 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene

1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene (PubChem CID 83926747) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene.

Molecular Properties

Compound Name1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene
PubChem CID83926747
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene
SMILESC/C=C\CC(C)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C15H22O2S/c1-4-6-8-13(3)14-9-7-10-15(12-14)18(16,17)11-5-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3/b6-4-
InChIKeyRFIUSFBJMDKKMA-XQRVVYSFSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pent-4-en-2-yl-3-propylsulfonylbenzene
CID 83926744
1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
CID 83926755
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
2-[3-(3-propylsulfonylphenyl)butan-2-yl]propane-1,3-diamine
CID 83926715
1-(2-methylbut-3-enyl)-3-propylsulfonylbenzene
CID 83926750
4-(3-propylsulfonylphenyl)hexane-1,2-diol
CID 83926774
1-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821
2-amino-1-(3-propylsulfonylphenyl)butane-1,4-diol
CID 83926687
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
1-methylsulfonyl-3-pent-4-en-2-ylbenzene
CID 83926488
(3-propylsulfonylphenyl)methanamine
CID 83926717

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene?
The IUPAC name of 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene (CID 83926747) is 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene.
What is the SMILES notation for 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene?
The canonical SMILES for 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene is C/C=C\CC(C)c1cccc(S(=O)(=O)CCC)c1.
What is the InChIKey of 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene?
The InChIKey is RFIUSFBJMDKKMA-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-6-8-13(3)14-9-7-10-15(12-14)18(16,17)11-5-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3/b6-4-.
What are the key properties of 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene?
1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene has a molecular weight of 266.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene is sourced from PubChem (CID 83926747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).