5-bromoadamantan-2-ol

C10H15BrO — CID 12660030

IUPAC5-bromoadamantan-2-ol
SMILESOC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H15BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2
InChIKeyFSSITHXHAFLHMQ-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.32
Rot. Bonds

About 5-bromoadamantan-2-ol

5-bromoadamantan-2-ol (PubChem CID 12660030) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 5-bromoadamantan-2-ol.

Molecular Properties

Compound Name5-bromoadamantan-2-ol
PubChem CID12660030
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name5-bromoadamantan-2-ol
SMILESOC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H15BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2
InChIKeyFSSITHXHAFLHMQ-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-bromoadamantan-2-ol?
The IUPAC name of 5-bromoadamantan-2-ol (CID 12660030) is 5-bromoadamantan-2-ol.
What is the SMILES notation for 5-bromoadamantan-2-ol?
The canonical SMILES for 5-bromoadamantan-2-ol is OC1C2CC3CC1CC(Br)(C3)C2.
What is the InChIKey of 5-bromoadamantan-2-ol?
The InChIKey is FSSITHXHAFLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2.
What are the key properties of 5-bromoadamantan-2-ol?
5-bromoadamantan-2-ol has a molecular weight of 231.13 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoadamantan-2-ol is sourced from PubChem (CID 12660030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).