1-pent-4-en-2-yl-3-propylsulfonylbenzene

C14H20O2S — CID 83926744

IUPAC1-pent-4-en-2-yl-3-propylsulfonylbenzene
SMILESC=CCC(C)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C14H20O2S/c1-4-7-12(3)13-8-6-9-14(11-13)17(15,16)10-5-2/h4,6,8-9,11-12H,1,5,7,10H2,2-3H3
InChIKeySVNGZSCEEVNGJH-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.55
Rot. Bonds6

About 1-pent-4-en-2-yl-3-propylsulfonylbenzene

1-pent-4-en-2-yl-3-propylsulfonylbenzene (PubChem CID 83926744) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-pent-4-en-2-yl-3-propylsulfonylbenzene.

Molecular Properties

Compound Name1-pent-4-en-2-yl-3-propylsulfonylbenzene
PubChem CID83926744
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-pent-4-en-2-yl-3-propylsulfonylbenzene
SMILESC=CCC(C)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C14H20O2S/c1-4-7-12(3)13-8-6-9-14(11-13)17(15,16)10-5-2/h4,6,8-9,11-12H,1,5,7,10H2,2-3H3
InChIKeySVNGZSCEEVNGJH-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.55
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-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene
CID 83926747
1-methylsulfonyl-3-pent-4-en-2-ylbenzene
CID 83926488
1-(2-methylbut-3-enyl)-3-propylsulfonylbenzene
CID 83926750
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-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821
4-(3-propylsulfonylphenyl)hexane-1,2-diol
CID 83926774
2-amino-1-(3-propylsulfonylphenyl)butane-1,4-diol
CID 83926687
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
[(3R)-3-methylhex-5-enyl]sulfonylbenzene
CID 141118186

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-en-2-yl-3-propylsulfonylbenzene?
The IUPAC name of 1-pent-4-en-2-yl-3-propylsulfonylbenzene (CID 83926744) is 1-pent-4-en-2-yl-3-propylsulfonylbenzene.
What is the SMILES notation for 1-pent-4-en-2-yl-3-propylsulfonylbenzene?
The canonical SMILES for 1-pent-4-en-2-yl-3-propylsulfonylbenzene is C=CCC(C)c1cccc(S(=O)(=O)CCC)c1.
What is the InChIKey of 1-pent-4-en-2-yl-3-propylsulfonylbenzene?
The InChIKey is SVNGZSCEEVNGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-4-7-12(3)13-8-6-9-14(11-13)17(15,16)10-5-2/h4,6,8-9,11-12H,1,5,7,10H2,2-3H3.
What are the key properties of 1-pent-4-en-2-yl-3-propylsulfonylbenzene?
1-pent-4-en-2-yl-3-propylsulfonylbenzene has a molecular weight of 252.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-en-2-yl-3-propylsulfonylbenzene is sourced from PubChem (CID 83926744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).