2-(2-bromocycloheptyl)acetaldehyde

C9H15BrO — CID 87725646

IUPAC2-(2-bromocycloheptyl)acetaldehyde
SMILESO=CCC1CCCCCC1Br
InChIInChI=1S/C9H15BrO/c10-9-5-3-1-2-4-8(9)6-7-11/h7-9H,1-6H2
InChIKeyPOAKPOZICCBAII-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-bromocycloheptyl)acetaldehyde

2-(2-bromocycloheptyl)acetaldehyde (PubChem CID 87725646) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-(2-bromocycloheptyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-bromocycloheptyl)acetaldehyde
PubChem CID87725646
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name2-(2-bromocycloheptyl)acetaldehyde
SMILESO=CCC1CCCCCC1Br
InChIInChI=1S/C9H15BrO/c10-9-5-3-1-2-4-8(9)6-7-11/h7-9H,1-6H2
InChIKeyPOAKPOZICCBAII-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocycloheptyl)acetaldehyde?
The IUPAC name of 2-(2-bromocycloheptyl)acetaldehyde (CID 87725646) is 2-(2-bromocycloheptyl)acetaldehyde.
What is the SMILES notation for 2-(2-bromocycloheptyl)acetaldehyde?
The canonical SMILES for 2-(2-bromocycloheptyl)acetaldehyde is O=CCC1CCCCCC1Br.
What is the InChIKey of 2-(2-bromocycloheptyl)acetaldehyde?
The InChIKey is POAKPOZICCBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c10-9-5-3-1-2-4-8(9)6-7-11/h7-9H,1-6H2.
What are the key properties of 2-(2-bromocycloheptyl)acetaldehyde?
2-(2-bromocycloheptyl)acetaldehyde has a molecular weight of 219.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocycloheptyl)acetaldehyde is sourced from PubChem (CID 87725646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).