(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane

C10H17BrO2 — CID 98041196

IUPAC(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
SMILESBr[C@@H]1CCCCCCC12OCCO2
InChIInChI=1S/C10H17BrO2/c11-9-5-3-1-2-4-6-10(9)12-7-8-13-10/h9H,1-8H2/t9-/m1/s1
InChIKeyROKQUFWISOAOIR-SECBINFHSA-N
MW249.15 g/mol
LogP2.85
Rot. Bonds

About (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane

(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane (PubChem CID 98041196) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane.

Molecular Properties

Compound Name(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
PubChem CID98041196
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
SMILESBr[C@@H]1CCCCCCC12OCCO2
InChIInChI=1S/C10H17BrO2/c11-9-5-3-1-2-4-6-10(9)12-7-8-13-10/h9H,1-8H2/t9-/m1/s1
InChIKeyROKQUFWISOAOIR-SECBINFHSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
1,2-dibromo-1-methylcyclooctane
CID 18443823
(3S,4S,5R)-3,4-dihydroxy-1,10-dioxaspiro[4.5]decan-2-one
CID 131133886
(3R,4R,5S)-3,4-dihydroxy-1,10-dioxaspiro[4.5]decan-2-one
CID 71517007
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
(4'aS,9'aR)-spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8,9,9a-octahydro-1H-benzo[7]annulene]-2'-one
CID 101104826
(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
CID 168910128
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol
CID 10083873
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943

Frequently Asked Questions

What is the IUPAC name of (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane?
The IUPAC name of (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane (CID 98041196) is (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane.
What is the SMILES notation for (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane?
The canonical SMILES for (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane is Br[C@@H]1CCCCCCC12OCCO2.
What is the InChIKey of (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane?
The InChIKey is ROKQUFWISOAOIR-SECBINFHSA-N. The full InChI is InChI=1S/C10H17BrO2/c11-9-5-3-1-2-4-6-10(9)12-7-8-13-10/h9H,1-8H2/t9-/m1/s1.
What are the key properties of (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane?
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane has a molecular weight of 249.15 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane is sourced from PubChem (CID 98041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).