7-iodoheptylbenzene

C13H19I — CID 14529673

IUPAC7-iodoheptylbenzene
SMILESICCCCCCCc1ccccc1
InChIInChI=1S/C13H19I/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
InChIKeyNQVOWCZWXJMQFV-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.61
Rot. Bonds7

About 7-iodoheptylbenzene

7-iodoheptylbenzene (PubChem CID 14529673) has the molecular formula C13H19I and a molecular weight of 302.20 g/mol. Its IUPAC name is 7-iodoheptylbenzene.

Molecular Properties

Compound Name7-iodoheptylbenzene
PubChem CID14529673
Molecular FormulaC13H19I
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name7-iodoheptylbenzene
SMILESICCCCCCCc1ccccc1
InChIInChI=1S/C13H19I/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
InChIKeyNQVOWCZWXJMQFV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-iodobutyl)benzene
CID 11775071
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
2-iodoethylbenzene;zinc
CID 70126598
8-iodooct-4-ynylbenzene
CID 139920502
heptylbenzene
CID 91456779
1,4-bis(3-iodopropyl)benzene
CID 71377455
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
octacosylbenzene
CID 14228596
13-phenyltridecan-1-amine
CID 19801439

Frequently Asked Questions

What is the IUPAC name of 7-iodoheptylbenzene?
The IUPAC name of 7-iodoheptylbenzene (CID 14529673) is 7-iodoheptylbenzene.
What is the SMILES notation for 7-iodoheptylbenzene?
The canonical SMILES for 7-iodoheptylbenzene is ICCCCCCCc1ccccc1.
What is the InChIKey of 7-iodoheptylbenzene?
The InChIKey is NQVOWCZWXJMQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19I/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2.
What are the key properties of 7-iodoheptylbenzene?
7-iodoheptylbenzene has a molecular weight of 302.20 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodoheptylbenzene is sourced from PubChem (CID 14529673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).