1,2-dibromoadamantane

C10H14Br2 — CID 12527792

IUPAC1,2-dibromoadamantane
SMILESBrC1C2CC3CC(C2)CC1(Br)C3
InChIInChI=1S/C10H14Br2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2
InChIKeyQPLRBWJKWVOFOR-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.72
Rot. Bonds

About 1,2-dibromoadamantane

1,2-dibromoadamantane (PubChem CID 12527792) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 1,2-dibromoadamantane.

Molecular Properties

Compound Name1,2-dibromoadamantane
PubChem CID12527792
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name1,2-dibromoadamantane
SMILESBrC1C2CC3CC(C2)CC1(Br)C3
InChIInChI=1S/C10H14Br2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2
InChIKeyQPLRBWJKWVOFOR-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

CID 79106
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CID 265790
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CID 1187392
CID 1187392
CID 289875
CID 289875
CID 2769712
CID 2769712
CID 157776
CID 157776
CID 2338476
CID 2338476
CID 4533350
CID 4533350
CID 13131358
CID 13131358
CID 14977033
CID 14977033
CID 54362251
CID 54362251

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoadamantane?
The IUPAC name of 1,2-dibromoadamantane (CID 12527792) is 1,2-dibromoadamantane.
What is the SMILES notation for 1,2-dibromoadamantane?
The canonical SMILES for 1,2-dibromoadamantane is BrC1C2CC3CC(C2)CC1(Br)C3.
What is the InChIKey of 1,2-dibromoadamantane?
The InChIKey is QPLRBWJKWVOFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2.
What are the key properties of 1,2-dibromoadamantane?
1,2-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 1,2-dibromoadamantane is sourced from PubChem (CID 12527792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).