3-bromododecanal

C12H23BrO — CID 140990352

IUPAC3-bromododecanal
SMILESCCCCCCCCCC(Br)CC=O
InChIInChI=1S/C12H23BrO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h11-12H,2-10H2,1H3
InChIKeyBPUWMMTUBRAUCG-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.48
Rot. Bonds10

About 3-bromododecanal

3-bromododecanal (PubChem CID 140990352) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-bromododecanal.

Molecular Properties

Compound Name3-bromododecanal
PubChem CID140990352
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name3-bromododecanal
SMILESCCCCCCCCCC(Br)CC=O
InChIInChI=1S/C12H23BrO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h11-12H,2-10H2,1H3
InChIKeyBPUWMMTUBRAUCG-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromododecanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
3-nonyldodecanal
CID 142613821
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
3-propylnonanal
CID 54180960
3-hydroxyheptadecanal
CID 15268158
2-bromo-1-fluorododecane
CID 12938124
(3S)-3-methoxydecanal
CID 58437054
1,6-dibromododecane
CID 18940788
1,3-dibromoundecane
CID 122583600
1,3-dibromododecane
CID 122583611

Frequently Asked Questions

What is the IUPAC name of 3-bromododecanal?
The IUPAC name of 3-bromododecanal (CID 140990352) is 3-bromododecanal.
What is the SMILES notation for 3-bromododecanal?
The canonical SMILES for 3-bromododecanal is CCCCCCCCCC(Br)CC=O.
What is the InChIKey of 3-bromododecanal?
The InChIKey is BPUWMMTUBRAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h11-12H,2-10H2,1H3.
What are the key properties of 3-bromododecanal?
3-bromododecanal has a molecular weight of 263.22 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromododecanal is sourced from PubChem (CID 140990352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).