1,3,5,7-tetrabromoadamantane

C10H12Br4 — CID 632907

IUPAC1,3,5,7-tetrabromoadamantane
SMILESBrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3
InChIInChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
InChIKeySWVWJFWKWBFPID-UHFFFAOYSA-N
MW451.82 g/mol
LogP4.90
Rot. Bonds

About 1,3,5,7-tetrabromoadamantane

1,3,5,7-tetrabromoadamantane (PubChem CID 632907) has the molecular formula C10H12Br4 and a molecular weight of 451.82 g/mol. Its IUPAC name is 1,3,5,7-tetrabromoadamantane.

Molecular Properties

Compound Name1,3,5,7-tetrabromoadamantane
PubChem CID632907
Molecular FormulaC10H12Br4
Molecular Weight451.82 g/mol
Exact Mass447.77
IUPAC Name1,3,5,7-tetrabromoadamantane
SMILESBrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3
InChIInChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
InChIKeySWVWJFWKWBFPID-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5,7-tetrabromoadamantane 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

1-Bromoadamantane
CID 79106
1,3-Dibromoadamantane
CID 265790
1,3,5-Tribromoadamantane
CID 1187392
1,3-Dibromo-5,7-dimethyladamantane
CID 3631777
Tricyclo(3.3.1.13,7)decane, 1,3,6,6-tetrabromo-
CID 157776
2,4-Dibromoadamantane
CID 13131358
Memantine Impurity 61
CID 13950364
1,3,6-Tribromoadamantane
CID 14977033
Tribromoadamantane
CID 54362251
Tetrabromadamantan
CID 57248086
5-Butyl-1,3-dibromoadamantane
CID 86003158
5,7-Dibutyl-1,3-dibromoadamantane
CID 101218879

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrabromoadamantane?
The IUPAC name of 1,3,5,7-tetrabromoadamantane (CID 632907) is 1,3,5,7-tetrabromoadamantane.
What is the SMILES notation for 1,3,5,7-tetrabromoadamantane?
The canonical SMILES for 1,3,5,7-tetrabromoadamantane is BrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3.
What is the InChIKey of 1,3,5,7-tetrabromoadamantane?
The InChIKey is SWVWJFWKWBFPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2.
What are the key properties of 1,3,5,7-tetrabromoadamantane?
1,3,5,7-tetrabromoadamantane has a molecular weight of 451.82 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrabromoadamantane is sourced from PubChem (CID 632907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).