1-hept-3-enyl-4-iodobenzene

C13H17I — CID 139749261

IUPAC1-hept-3-enyl-4-iodobenzene
SMILESCCCC=CCCc1ccc(I)cc1
InChIInChI=1S/C13H17I/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyIKZFDMHWBDCQFO-UHFFFAOYSA-N
MW300.18 g/mol
LogP4.58
Rot. Bonds5

About 1-hept-3-enyl-4-iodobenzene

1-hept-3-enyl-4-iodobenzene (PubChem CID 139749261) has the molecular formula C13H17I and a molecular weight of 300.18 g/mol. Its IUPAC name is 1-hept-3-enyl-4-iodobenzene.

Molecular Properties

Compound Name1-hept-3-enyl-4-iodobenzene
PubChem CID139749261
Molecular FormulaC13H17I
Molecular Weight300.18 g/mol
Exact Mass300.04
IUPAC Name1-hept-3-enyl-4-iodobenzene
SMILESCCCC=CCCc1ccc(I)cc1
InChIInChI=1S/C13H17I/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyIKZFDMHWBDCQFO-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-iodo-4-octadecylbenzene
CID 141122271
1-iodo-4-[4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 54022036
1-ethoxy-4-[2-(4-hept-3-enylphenyl)ethynyl]benzene
CID 139767234
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
1-iodo-4-pent-2-enylbenzene
CID 141141997
1-(3-chlorohexyl)-4-iodobenzene
CID 65477934
1-decyl-4-iodobenzene tetrafluoroborate
CID 174595981

Frequently Asked Questions

What is the IUPAC name of 1-hept-3-enyl-4-iodobenzene?
The IUPAC name of 1-hept-3-enyl-4-iodobenzene (CID 139749261) is 1-hept-3-enyl-4-iodobenzene.
What is the SMILES notation for 1-hept-3-enyl-4-iodobenzene?
The canonical SMILES for 1-hept-3-enyl-4-iodobenzene is CCCC=CCCc1ccc(I)cc1.
What is the InChIKey of 1-hept-3-enyl-4-iodobenzene?
The InChIKey is IKZFDMHWBDCQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17I/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 1-hept-3-enyl-4-iodobenzene?
1-hept-3-enyl-4-iodobenzene has a molecular weight of 300.18 g/mol, XLogP of 4.58, 5 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-iodobenzene is sourced from PubChem (CID 139749261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).