(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane

C9H15BrO — CID 125455820

IUPAC(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane
SMILESBrC[C@H]1CC2(CCCC2)CO1
InChIInChI=1S/C9H15BrO/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8H,1-7H2/t8-/m1/s1
InChIKeyHLRPTEGWVTVURG-MRVPVSSYSA-N
MW219.12 g/mol
LogP2.73
Rot. Bonds1

About (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane

(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane (PubChem CID 125455820) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane
PubChem CID125455820
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane
SMILESBrC[C@H]1CC2(CCCC2)CO1
InChIInChI=1S/C9H15BrO/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8H,1-7H2/t8-/m1/s1
InChIKeyHLRPTEGWVTVURG-MRVPVSSYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
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 (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane?
The IUPAC name of (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane (CID 125455820) is (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane.
What is the SMILES notation for (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane?
The canonical SMILES for (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane is BrC[C@H]1CC2(CCCC2)CO1.
What is the InChIKey of (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane?
The InChIKey is HLRPTEGWVTVURG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15BrO/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8H,1-7H2/t8-/m1/s1.
What are the key properties of (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane?
(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane has a molecular weight of 219.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane is sourced from PubChem (CID 125455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).