(1-bromo-2-methylpropyl)cyclododecane

C16H31Br — CID 79298781

IUPAC(1-bromo-2-methylpropyl)cyclododecane
SMILESCC(C)C(Br)C1CCCCCCCCCCC1
InChIInChI=1S/C16H31Br/c1-14(2)16(17)15-12-10-8-6-4-3-5-7-9-11-13-15/h14-16H,3-13H2,1-2H3
InChIKeyICCUEOSNSFZBKX-UHFFFAOYSA-N
MW303.33 g/mol
LogP6.33
Rot. Bonds2

About (1-bromo-2-methylpropyl)cyclododecane

(1-bromo-2-methylpropyl)cyclododecane (PubChem CID 79298781) has the molecular formula C16H31Br and a molecular weight of 303.33 g/mol. Its IUPAC name is (1-bromo-2-methylpropyl)cyclododecane.

Molecular Properties

Compound Name(1-bromo-2-methylpropyl)cyclododecane
PubChem CID79298781
Molecular FormulaC16H31Br
Molecular Weight303.33 g/mol
Exact Mass302.16
IUPAC Name(1-bromo-2-methylpropyl)cyclododecane
SMILESCC(C)C(Br)C1CCCCCCCCCCC1
InChIInChI=1S/C16H31Br/c1-14(2)16(17)15-12-10-8-6-4-3-5-7-9-11-13-15/h14-16H,3-13H2,1-2H3
InChIKeyICCUEOSNSFZBKX-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1-bromo-2-methylpropyl)cyclododecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylpropyl)cyclododecane?
The IUPAC name of (1-bromo-2-methylpropyl)cyclododecane (CID 79298781) is (1-bromo-2-methylpropyl)cyclododecane.
What is the SMILES notation for (1-bromo-2-methylpropyl)cyclododecane?
The canonical SMILES for (1-bromo-2-methylpropyl)cyclododecane is CC(C)C(Br)C1CCCCCCCCCCC1.
What is the InChIKey of (1-bromo-2-methylpropyl)cyclododecane?
The InChIKey is ICCUEOSNSFZBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31Br/c1-14(2)16(17)15-12-10-8-6-4-3-5-7-9-11-13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of (1-bromo-2-methylpropyl)cyclododecane?
(1-bromo-2-methylpropyl)cyclododecane has a molecular weight of 303.33 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylpropyl)cyclododecane is sourced from PubChem (CID 79298781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).