1-(76Br)bromooct-1-yne

C8H13Br — CID 11665518

IUPAC1-(76Br)bromooct-1-yne
SMILESCCCCCCC#C[76Br]
InChIInChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3/i9-4
InChIKeyDHEWVQLPVBAYCQ-IUAIQHPESA-N
MW185.12 g/mol
LogP3.31
Rot. Bonds4

About 1-(76Br)bromooct-1-yne

1-(76Br)bromooct-1-yne (PubChem CID 11665518) has the molecular formula C8H13Br and a molecular weight of 185.12 g/mol. Its IUPAC name is 1-(76Br)bromooct-1-yne.

Molecular Properties

Compound Name1-(76Br)bromooct-1-yne
PubChem CID11665518
Molecular FormulaC8H13Br
Molecular Weight185.12 g/mol
Exact Mass185.03
IUPAC Name1-(76Br)bromooct-1-yne
SMILESCCCCCCC#C[76Br]
InChIInChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3/i9-4
InChIKeyDHEWVQLPVBAYCQ-IUAIQHPESA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 53.31
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

henicos-8-yne
CID 22224321
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
dec-1-ynylstibane
CID 173085058
1-iodoundec-1-yne
CID 22678053
dodec-1-yne-1-thiol
CID 21451189
dec-1-ynylarsane
CID 173084883
nonacos-1-yn-1-amine
CID 87460999
icos-1-ynylphosphane
CID 21095447

Frequently Asked Questions

What is the IUPAC name of 1-(76Br)bromooct-1-yne?
The IUPAC name of 1-(76Br)bromooct-1-yne (CID 11665518) is 1-(76Br)bromooct-1-yne.
What is the SMILES notation for 1-(76Br)bromooct-1-yne?
The canonical SMILES for 1-(76Br)bromooct-1-yne is CCCCCCC#C[76Br].
What is the InChIKey of 1-(76Br)bromooct-1-yne?
The InChIKey is DHEWVQLPVBAYCQ-IUAIQHPESA-N. The full InChI is InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3/i9-4.
What are the key properties of 1-(76Br)bromooct-1-yne?
1-(76Br)bromooct-1-yne has a molecular weight of 185.12 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(76Br)bromooct-1-yne is sourced from PubChem (CID 11665518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).