1,16-dibromohexadeca-2,14-diyne

C16H24Br2 — CID 15012299

IUPAC1,16-dibromohexadeca-2,14-diyne
SMILESBrCC#CCCCCCCCCCCC#CCBr
InChIInChI=1S/C16H24Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-10,15-16H2
InChIKeyCVIAJXRDVMCDGZ-UHFFFAOYSA-N
MW376.18 g/mol
LogP5.68
Rot. Bonds9

About 1,16-dibromohexadeca-2,14-diyne

1,16-dibromohexadeca-2,14-diyne (PubChem CID 15012299) has the molecular formula C16H24Br2 and a molecular weight of 376.18 g/mol. Its IUPAC name is 1,16-dibromohexadeca-2,14-diyne.

Molecular Properties

Compound Name1,16-dibromohexadeca-2,14-diyne
PubChem CID15012299
Molecular FormulaC16H24Br2
Molecular Weight376.18 g/mol
Exact Mass374.02
IUPAC Name1,16-dibromohexadeca-2,14-diyne
SMILESBrCC#CCCCCCCCCCCC#CCBr
InChIInChI=1S/C16H24Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-10,15-16H2
InChIKeyCVIAJXRDVMCDGZ-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.18
LogP ≤ 55.68
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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CID 11186839
1-bromo-7-methyloct-2-yne
CID 71401055
1-bromoundec-4-yne
CID 86210220
1,10-dibromodeca-1,9-diyne
CID 101213504
10-bromo-1-(10-bromodec-3-ynoxy)dec-3-yne
CID 87730906
10-bromodec-8-yn-4-one
CID 20765013
henicos-8-yne
CID 22224321
1-bromodec-4-yne
CID 22621683
1,10-dichlorodec-4-yne
CID 131855831
nonacos-4-yne
CID 22223961

Frequently Asked Questions

What is the IUPAC name of 1,16-dibromohexadeca-2,14-diyne?
The IUPAC name of 1,16-dibromohexadeca-2,14-diyne (CID 15012299) is 1,16-dibromohexadeca-2,14-diyne.
What is the SMILES notation for 1,16-dibromohexadeca-2,14-diyne?
The canonical SMILES for 1,16-dibromohexadeca-2,14-diyne is BrCC#CCCCCCCCCCCC#CCBr.
What is the InChIKey of 1,16-dibromohexadeca-2,14-diyne?
The InChIKey is CVIAJXRDVMCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-10,15-16H2.
What are the key properties of 1,16-dibromohexadeca-2,14-diyne?
1,16-dibromohexadeca-2,14-diyne has a molecular weight of 376.18 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,16-dibromohexadeca-2,14-diyne is sourced from PubChem (CID 15012299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).