1-hept-3-enyl-4-pent-3-enylbenzene

C18H26 — CID 123755117

IUPAC1-hept-3-enyl-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(CCC=CCCC)cc1
InChIInChI=1S/C18H26/c1-3-5-7-8-10-12-18-15-13-17(14-16-18)11-9-6-4-2/h4,6-8,13-16H,3,5,9-12H2,1-2H3
InChIKeyXCIYNLXEAYWUCH-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.48
Rot. Bonds8

About 1-hept-3-enyl-4-pent-3-enylbenzene

1-hept-3-enyl-4-pent-3-enylbenzene (PubChem CID 123755117) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-hept-3-enyl-4-pent-3-enylbenzene.

Molecular Properties

Compound Name1-hept-3-enyl-4-pent-3-enylbenzene
PubChem CID123755117
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-hept-3-enyl-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(CCC=CCCC)cc1
InChIInChI=1S/C18H26/c1-3-5-7-8-10-12-18-15-13-17(14-16-18)11-9-6-4-2/h4,6-8,13-16H,3,5,9-12H2,1-2H3
InChIKeyXCIYNLXEAYWUCH-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.48
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-pent-3-enyl-4-propylbenzene
CID 72599491
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-hept-3-enyl-4-iodobenzene
CID 139749261
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-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
(6Z)-deca-2,6-diene
CID 159397578
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480

Frequently Asked Questions

What is the IUPAC name of 1-hept-3-enyl-4-pent-3-enylbenzene?
The IUPAC name of 1-hept-3-enyl-4-pent-3-enylbenzene (CID 123755117) is 1-hept-3-enyl-4-pent-3-enylbenzene.
What is the SMILES notation for 1-hept-3-enyl-4-pent-3-enylbenzene?
The canonical SMILES for 1-hept-3-enyl-4-pent-3-enylbenzene is CC=CCCc1ccc(CCC=CCCC)cc1.
What is the InChIKey of 1-hept-3-enyl-4-pent-3-enylbenzene?
The InChIKey is XCIYNLXEAYWUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-3-5-7-8-10-12-18-15-13-17(14-16-18)11-9-6-4-2/h4,6-8,13-16H,3,5,9-12H2,1-2H3.
What are the key properties of 1-hept-3-enyl-4-pent-3-enylbenzene?
1-hept-3-enyl-4-pent-3-enylbenzene has a molecular weight of 242.41 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-3-enyl-4-pent-3-enylbenzene is sourced from PubChem (CID 123755117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).