1-bromo-14-iodotetradecane

C14H28BrI — CID 57050711

IUPAC1-bromo-14-iodotetradecane
SMILESBrCCCCCCCCCCCCCCI
InChIInChI=1S/C14H28BrI/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2
InChIKeyRWJBDOJDNVLMAS-UHFFFAOYSA-N
MW403.19 g/mol
LogP6.50
Rot. Bonds13

About 1-bromo-14-iodotetradecane

1-bromo-14-iodotetradecane (PubChem CID 57050711) has the molecular formula C14H28BrI and a molecular weight of 403.19 g/mol. Its IUPAC name is 1-bromo-14-iodotetradecane.

Molecular Properties

Compound Name1-bromo-14-iodotetradecane
PubChem CID57050711
Molecular FormulaC14H28BrI
Molecular Weight403.19 g/mol
Exact Mass402.04
IUPAC Name1-bromo-14-iodotetradecane
SMILESBrCCCCCCCCCCCCCCI
InChIInChI=1S/C14H28BrI/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2
InChIKeyRWJBDOJDNVLMAS-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.19
LogP ≤ 56.50
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-14-iodotetradecane?
The IUPAC name of 1-bromo-14-iodotetradecane (CID 57050711) is 1-bromo-14-iodotetradecane.
What is the SMILES notation for 1-bromo-14-iodotetradecane?
The canonical SMILES for 1-bromo-14-iodotetradecane is BrCCCCCCCCCCCCCCI.
What is the InChIKey of 1-bromo-14-iodotetradecane?
The InChIKey is RWJBDOJDNVLMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrI/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2.
What are the key properties of 1-bromo-14-iodotetradecane?
1-bromo-14-iodotetradecane has a molecular weight of 403.19 g/mol, XLogP of 6.50, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-14-iodotetradecane is sourced from PubChem (CID 57050711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).