1-pent-3-enyl-4-propylbenzene

C14H20 — CID 72599491

IUPAC1-pent-3-enyl-4-propylbenzene
SMILESCC=CCCc1ccc(CCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyLWRSDJYJXOKYSL-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds5

About 1-pent-3-enyl-4-propylbenzene

1-pent-3-enyl-4-propylbenzene (PubChem CID 72599491) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-pent-3-enyl-4-propylbenzene.

Molecular Properties

Compound Name1-pent-3-enyl-4-propylbenzene
PubChem CID72599491
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-pent-3-enyl-4-propylbenzene
SMILESCC=CCCc1ccc(CCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyLWRSDJYJXOKYSL-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-[(Z)-pent-3-enyl]-4-propylsulfanylbenzene
CID 83935766
pent-3-enylbenzene
CID 519421
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
CID 140619230
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-enyl-4-propylbenzene?
The IUPAC name of 1-pent-3-enyl-4-propylbenzene (CID 72599491) is 1-pent-3-enyl-4-propylbenzene.
What is the SMILES notation for 1-pent-3-enyl-4-propylbenzene?
The canonical SMILES for 1-pent-3-enyl-4-propylbenzene is CC=CCCc1ccc(CCC)cc1.
What is the InChIKey of 1-pent-3-enyl-4-propylbenzene?
The InChIKey is LWRSDJYJXOKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h3,5,9-12H,4,6-8H2,1-2H3.
What are the key properties of 1-pent-3-enyl-4-propylbenzene?
1-pent-3-enyl-4-propylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-enyl-4-propylbenzene is sourced from PubChem (CID 72599491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).