1,4-dibromoadamantane

C10H14Br2 — CID 4533350

IUPAC1,4-dibromoadamantane
SMILESBrC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2
InChIKeyBPJZBMGMBABTDL-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.72
Rot. Bonds

About 1,4-dibromoadamantane

1,4-dibromoadamantane (PubChem CID 4533350) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 1,4-dibromoadamantane.

Molecular Properties

Compound Name1,4-dibromoadamantane
PubChem CID4533350
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name1,4-dibromoadamantane
SMILESBrC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2
InChIKeyBPJZBMGMBABTDL-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromoadamantane
CID 79106
1,3-Dibromoadamantane
CID 265790
2-Bromoadamantane
CID 522482
1,3,5-Tribromoadamantane
CID 1187392
1-Bromo-3-(bromomethyl)adamantane
CID 2769712
1,2-Dibromoadamantane
CID 12527792
Tricyclo(3.3.1.13,7)decane, 1,3,6,6-tetrabromo-
CID 157776
2,2-Dibromoadamantane
CID 2338476
2,4-Dibromoadamantane
CID 13131358
1,3,6-Tribromoadamantane
CID 14977033
Tribromoadamantane
CID 54362251
Tetrabromadamantan
CID 57248086

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromoadamantane?
The IUPAC name of 1,4-dibromoadamantane (CID 4533350) is 1,4-dibromoadamantane.
What is the SMILES notation for 1,4-dibromoadamantane?
The canonical SMILES for 1,4-dibromoadamantane is BrC1C2CC3CC1CC(Br)(C3)C2.
What is the InChIKey of 1,4-dibromoadamantane?
The InChIKey is BPJZBMGMBABTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2.
What are the key properties of 1,4-dibromoadamantane?
1,4-dibromoadamantane has a molecular weight of 294.03 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromoadamantane is sourced from PubChem (CID 4533350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).