1-bromonona-1,7-diyne

C9H11Br — CID 11390008

IUPAC1-bromonona-1,7-diyne
SMILESCC#CCCCCC#CBr
InChIInChI=1S/C9H11Br/c1-2-3-4-5-6-7-8-9-10/h4-7H2,1H3
InChIKeyMNIFVYYVMMGFGR-UHFFFAOYSA-N
MW199.09 g/mol
LogP2.93
Rot. Bonds3

About 1-bromonona-1,7-diyne

1-bromonona-1,7-diyne (PubChem CID 11390008) has the molecular formula C9H11Br and a molecular weight of 199.09 g/mol. Its IUPAC name is 1-bromonona-1,7-diyne.

Molecular Properties

Compound Name1-bromonona-1,7-diyne
PubChem CID11390008
Molecular FormulaC9H11Br
Molecular Weight199.09 g/mol
Exact Mass198.00
IUPAC Name1-bromonona-1,7-diyne
SMILESCC#CCCCCC#CBr
InChIInChI=1S/C9H11Br/c1-2-3-4-5-6-7-8-9-10/h4-7H2,1H3
InChIKeyMNIFVYYVMMGFGR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 1-bromonona-1,7-diyne?
The IUPAC name of 1-bromonona-1,7-diyne (CID 11390008) is 1-bromonona-1,7-diyne.
What is the SMILES notation for 1-bromonona-1,7-diyne?
The canonical SMILES for 1-bromonona-1,7-diyne is CC#CCCCCC#CBr.
What is the InChIKey of 1-bromonona-1,7-diyne?
The InChIKey is MNIFVYYVMMGFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br/c1-2-3-4-5-6-7-8-9-10/h4-7H2,1H3.
What are the key properties of 1-bromonona-1,7-diyne?
1-bromonona-1,7-diyne has a molecular weight of 199.09 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonona-1,7-diyne is sourced from PubChem (CID 11390008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).