1-bromononane

C9H19Br — CID 12742

IUPAC1-bromononane
SMILESCCCCCCCCCBr
InChIInChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKeyAYMUQTNXKPEMLM-UHFFFAOYSA-N
MW207.15 g/mol
LogP4.13
Rot. Bonds7

About 1-bromononane

1-bromononane (PubChem CID 12742) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-bromononane.

Molecular Properties

Compound Name1-bromononane
PubChem CID12742
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name1-bromononane
SMILESCCCCCCCCCBr
InChIInChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKeyAYMUQTNXKPEMLM-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 54.13
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'}

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Related Compounds

1-Bromodecane
CID 8173
1-Bromododecane
CID 8919
1-Bromoheptane
CID 12369
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
1-Bromohexadecane
CID 8213
1-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1,12-Dibromododecane
CID 18766
1-Bromooctadecane
CID 8218
1-Bromoeicosane
CID 20271

Frequently Asked Questions

What is the IUPAC name of 1-bromononane?
The IUPAC name of 1-bromononane (CID 12742) is 1-bromononane.
What is the SMILES notation for 1-bromononane?
The canonical SMILES for 1-bromononane is CCCCCCCCCBr.
What is the InChIKey of 1-bromononane?
The InChIKey is AYMUQTNXKPEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3.
What are the key properties of 1-bromononane?
1-bromononane has a molecular weight of 207.15 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromononane is sourced from PubChem (CID 12742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).