1,14-dibromotetradeca-2,4,10,12-tetrayne

C14H12Br2 — CID 11186839

IUPAC1,14-dibromotetradeca-2,4,10,12-tetrayne
SMILESBrCC#CC#CCCCCC#CC#CCBr
InChIInChI=1S/C14H12Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-4,13-14H2
InChIKeyNSVJJODZMVKIJW-UHFFFAOYSA-N
MW340.06 g/mol
LogP3.35
Rot. Bonds3

About 1,14-dibromotetradeca-2,4,10,12-tetrayne

1,14-dibromotetradeca-2,4,10,12-tetrayne (PubChem CID 11186839) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1,14-dibromotetradeca-2,4,10,12-tetrayne.

Molecular Properties

Compound Name1,14-dibromotetradeca-2,4,10,12-tetrayne
PubChem CID11186839
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1,14-dibromotetradeca-2,4,10,12-tetrayne
SMILESBrCC#CC#CCCCCC#CC#CCBr
InChIInChI=1S/C14H12Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-4,13-14H2
InChIKeyNSVJJODZMVKIJW-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.35
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
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10-bromo-1-(10-bromodec-3-ynoxy)dec-3-yne
CID 87730906
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CID 13293576
1-bromo-7-methyloct-2-yne
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1-iodonona-1,3-diyne
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CID 15306342

Frequently Asked Questions

What is the IUPAC name of 1,14-dibromotetradeca-2,4,10,12-tetrayne?
The IUPAC name of 1,14-dibromotetradeca-2,4,10,12-tetrayne (CID 11186839) is 1,14-dibromotetradeca-2,4,10,12-tetrayne.
What is the SMILES notation for 1,14-dibromotetradeca-2,4,10,12-tetrayne?
The canonical SMILES for 1,14-dibromotetradeca-2,4,10,12-tetrayne is BrCC#CC#CCCCCC#CC#CCBr.
What is the InChIKey of 1,14-dibromotetradeca-2,4,10,12-tetrayne?
The InChIKey is NSVJJODZMVKIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-4,13-14H2.
What are the key properties of 1,14-dibromotetradeca-2,4,10,12-tetrayne?
1,14-dibromotetradeca-2,4,10,12-tetrayne has a molecular weight of 340.06 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-dibromotetradeca-2,4,10,12-tetrayne is sourced from PubChem (CID 11186839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).