1,10-dibromodeca-1,9-diyne

C10H12Br2 — CID 101213504

IUPAC1,10-dibromodeca-1,9-diyne
SMILESBrC#CCCCCCCC#CBr
InChIInChI=1S/C10H12Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-6H2
InChIKeyLNBKPXFABSDFTG-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.04
Rot. Bonds5

About 1,10-dibromodeca-1,9-diyne

1,10-dibromodeca-1,9-diyne (PubChem CID 101213504) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 1,10-dibromodeca-1,9-diyne.

Molecular Properties

Compound Name1,10-dibromodeca-1,9-diyne
PubChem CID101213504
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name1,10-dibromodeca-1,9-diyne
SMILESBrC#CCCCCCCC#CBr
InChIInChI=1S/C10H12Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-6H2
InChIKeyLNBKPXFABSDFTG-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromonona-1,7-diyne
CID 11390008
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
1,16-dibromohexadeca-2,14-diyne
CID 15012299
6-bromohex-5-ynyl acetate
CID 122444805
1,10-dichlorodec-4-yne
CID 131855831
undeca-2,9-diyne
CID 13351096
henicos-8-yne
CID 22224321
dec-1-ynylarsane
CID 173084883
1-octadec-1-ynylpyrrole
CID 10852851
1,14-dibromotetradeca-2,4,10,12-tetrayne
CID 11186839
1-bromodocos-2-yne
CID 172558886
1-bromoundec-4-yne
CID 86210220

Frequently Asked Questions

What is the IUPAC name of 1,10-dibromodeca-1,9-diyne?
The IUPAC name of 1,10-dibromodeca-1,9-diyne (CID 101213504) is 1,10-dibromodeca-1,9-diyne.
What is the SMILES notation for 1,10-dibromodeca-1,9-diyne?
The canonical SMILES for 1,10-dibromodeca-1,9-diyne is BrC#CCCCCCCC#CBr.
What is the InChIKey of 1,10-dibromodeca-1,9-diyne?
The InChIKey is LNBKPXFABSDFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-6H2.
What are the key properties of 1,10-dibromodeca-1,9-diyne?
1,10-dibromodeca-1,9-diyne has a molecular weight of 292.01 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dibromodeca-1,9-diyne is sourced from PubChem (CID 101213504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).