2-bromospiro[3.3]heptan-6-ol

C7H11BrO — CID 155390894

IUPAC2-bromospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(Br)C2
InChIInChI=1S/C7H11BrO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2
InChIKeyRVIDEIXSRAEZDM-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.68
Rot. Bonds

About 2-bromospiro[3.3]heptan-6-ol

2-bromospiro[3.3]heptan-6-ol (PubChem CID 155390894) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-bromospiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-bromospiro[3.3]heptan-6-ol
PubChem CID155390894
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name2-bromospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(Br)C2
InChIInChI=1S/C7H11BrO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2
InChIKeyRVIDEIXSRAEZDM-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.68
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 2-bromospiro[3.3]heptan-6-ol?
The IUPAC name of 2-bromospiro[3.3]heptan-6-ol (CID 155390894) is 2-bromospiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-bromospiro[3.3]heptan-6-ol?
The canonical SMILES for 2-bromospiro[3.3]heptan-6-ol is OC1CC2(C1)CC(Br)C2.
What is the InChIKey of 2-bromospiro[3.3]heptan-6-ol?
The InChIKey is RVIDEIXSRAEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2.
What are the key properties of 2-bromospiro[3.3]heptan-6-ol?
2-bromospiro[3.3]heptan-6-ol has a molecular weight of 191.07 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[3.3]heptan-6-ol is sourced from PubChem (CID 155390894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).