1,3,6-tribromoadamantane

C10H13Br3 — CID 14977033

IUPAC1,3,6-tribromoadamantane
SMILESBrC1C2CC3(Br)CC1CC(Br)(C2)C3
InChIInChI=1S/C10H13Br3/c11-8-6-1-9(12)3-7(8)4-10(13,2-6)5-9/h6-8H,1-5H2
InChIKeySRCGCORNXOCEHL-UHFFFAOYSA-N
MW372.93 g/mol
LogP4.24
Rot. Bonds

About 1,3,6-tribromoadamantane

1,3,6-tribromoadamantane (PubChem CID 14977033) has the molecular formula C10H13Br3 and a molecular weight of 372.93 g/mol. Its IUPAC name is 1,3,6-tribromoadamantane.

Molecular Properties

Compound Name1,3,6-tribromoadamantane
PubChem CID14977033
Molecular FormulaC10H13Br3
Molecular Weight372.93 g/mol
Exact Mass369.86
IUPAC Name1,3,6-tribromoadamantane
SMILESBrC1C2CC3(Br)CC1CC(Br)(C2)C3
InChIInChI=1S/C10H13Br3/c11-8-6-1-9(12)3-7(8)4-10(13,2-6)5-9/h6-8H,1-5H2
InChIKeySRCGCORNXOCEHL-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-tribromoadamantane?
The IUPAC name of 1,3,6-tribromoadamantane (CID 14977033) is 1,3,6-tribromoadamantane.
What is the SMILES notation for 1,3,6-tribromoadamantane?
The canonical SMILES for 1,3,6-tribromoadamantane is BrC1C2CC3(Br)CC1CC(Br)(C2)C3.
What is the InChIKey of 1,3,6-tribromoadamantane?
The InChIKey is SRCGCORNXOCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br3/c11-8-6-1-9(12)3-7(8)4-10(13,2-6)5-9/h6-8H,1-5H2.
What are the key properties of 1,3,6-tribromoadamantane?
1,3,6-tribromoadamantane has a molecular weight of 372.93 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-tribromoadamantane is sourced from PubChem (CID 14977033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).