1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene

C14H20S — CID 83935766

IUPAC1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene
SMILESC/C=C\CCc1ccc(SCCC)cc1
InChIInChI=1S/C14H20S/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3,5,8-11H,4,6-7,12H2,1-2H3/b5-3-
InChIKeyOGSAKEGSBJEVLE-HYXAFXHYSA-N
MW220.38 g/mol
LogP4.70
Rot. Bonds6

About 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene

1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene (PubChem CID 83935766) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene.

Molecular Properties

Compound Name1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene
PubChem CID83935766
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene
SMILESC/C=C\CCc1ccc(SCCC)cc1
InChIInChI=1S/C14H20S/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3,5,8-11H,4,6-7,12H2,1-2H3/b5-3-
InChIKeyOGSAKEGSBJEVLE-HYXAFXHYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pent-3-enyl-4-propylbenzene
CID 72599491
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
4-(4-propylsulfanylphenyl)butan-1-amine
CID 83935745
1-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
pent-3-enylbenzene
CID 519421
1-butylsulfanyl-4-propylbenzene
CID 139386547
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene?
The IUPAC name of 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene (CID 83935766) is 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene.
What is the SMILES notation for 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene?
The canonical SMILES for 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene is C/C=C\CCc1ccc(SCCC)cc1.
What is the InChIKey of 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene?
The InChIKey is OGSAKEGSBJEVLE-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H20S/c1-3-5-6-7-13-8-10-14(11-9-13)15-12-4-2/h3,5,8-11H,4,6-7,12H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene?
1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene has a molecular weight of 220.38 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene is sourced from PubChem (CID 83935766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).