8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane

C14H23BrO — CID 79923297

IUPAC8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane
SMILESBrC(CCC1CCOC2(CCC2)C1)C1CC1
InChIInChI=1S/C14H23BrO/c15-13(12-3-4-12)5-2-11-6-9-16-14(10-11)7-1-8-14/h11-13H,1-10H2
InChIKeyNOTZDBYBZKRWOP-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.29
Rot. Bonds4

About 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane

8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane (PubChem CID 79923297) has the molecular formula C14H23BrO and a molecular weight of 287.24 g/mol. Its IUPAC name is 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane
PubChem CID79923297
Molecular FormulaC14H23BrO
Molecular Weight287.24 g/mol
Exact Mass286.09
IUPAC Name8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane
SMILESBrC(CCC1CCOC2(CCC2)C1)C1CC1
InChIInChI=1S/C14H23BrO/c15-13(12-3-4-12)5-2-11-6-9-16-14(10-11)7-1-8-14/h11-13H,1-10H2
InChIKeyNOTZDBYBZKRWOP-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane 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

9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
CID 79922733
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
3-cyclopentyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-ol
CID 115823243
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane (CID 79923297) is 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane is BrC(CCC1CCOC2(CCC2)C1)C1CC1.
What is the InChIKey of 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane?
The InChIKey is NOTZDBYBZKRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO/c15-13(12-3-4-12)5-2-11-6-9-16-14(10-11)7-1-8-14/h11-13H,1-10H2.
What are the key properties of 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane?
8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane has a molecular weight of 287.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 79923297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).