9-bromodispiro[3.0.35.14]nonane

C9H13Br — CID 155822084

IUPAC9-bromodispiro[3.0.35.14]nonane
SMILESBrC1C2(CCC2)C12CCC2
InChIInChI=1S/C9H13Br/c10-7-8(3-1-4-8)9(7)5-2-6-9/h7H,1-6H2
InChIKeyZIISQLISPOBYDZ-UHFFFAOYSA-N
MW201.11 g/mol
LogP3.10
Rot. Bonds

About 9-bromodispiro[3.0.35.14]nonane

9-bromodispiro[3.0.35.14]nonane (PubChem CID 155822084) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is 9-bromodispiro[3.0.35.14]nonane.

Molecular Properties

Compound Name9-bromodispiro[3.0.35.14]nonane
PubChem CID155822084
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Name9-bromodispiro[3.0.35.14]nonane
SMILESBrC1C2(CCC2)C12CCC2
InChIInChI=1S/C9H13Br/c10-7-8(3-1-4-8)9(7)5-2-6-9/h7H,1-6H2
InChIKeyZIISQLISPOBYDZ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 53.10
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

(1R,6S)-10-bromotricyclo[4.3.1.01,6]decane
CID 14268506
9-bromobicyclo[3.3.1]nonane-1,5-diol
CID 71397615
1-bromo-2-methylspiro[2.14]heptadecane-2-carbonitrile
CID 86235508
10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
CID 71380044
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
9-ethynyldispiro[3.0.35.14]nonane
CID 170912934
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
CID 177393049
(5S)-5-methyldispiro[2.0.24.33]nonane
CID 171818951
(3R,5S)-4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 117071048
4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 622134
2,2-difluoro-1-propan-2-ylspiro[2.3]hexane
CID 166825430
3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride
CID 170918435

Frequently Asked Questions

What is the IUPAC name of 9-bromodispiro[3.0.35.14]nonane?
The IUPAC name of 9-bromodispiro[3.0.35.14]nonane (CID 155822084) is 9-bromodispiro[3.0.35.14]nonane.
What is the SMILES notation for 9-bromodispiro[3.0.35.14]nonane?
The canonical SMILES for 9-bromodispiro[3.0.35.14]nonane is BrC1C2(CCC2)C12CCC2.
What is the InChIKey of 9-bromodispiro[3.0.35.14]nonane?
The InChIKey is ZIISQLISPOBYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br/c10-7-8(3-1-4-8)9(7)5-2-6-9/h7H,1-6H2.
What are the key properties of 9-bromodispiro[3.0.35.14]nonane?
9-bromodispiro[3.0.35.14]nonane has a molecular weight of 201.11 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromodispiro[3.0.35.14]nonane is sourced from PubChem (CID 155822084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).