2-(3-bromopentyl)-1-oxaspiro[4.5]decane

C14H25BrO — CID 102899931

IUPAC2-(3-bromopentyl)-1-oxaspiro[4.5]decane
SMILESCCC(Br)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25BrO/c1-2-12(15)6-7-13-8-11-14(16-13)9-4-3-5-10-14/h12-13H,2-11H2,1H3
InChIKeyGMXKJFCYGLLAAG-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.82
Rot. Bonds4

About 2-(3-bromopentyl)-1-oxaspiro[4.5]decane

2-(3-bromopentyl)-1-oxaspiro[4.5]decane (PubChem CID 102899931) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(3-bromopentyl)-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-bromopentyl)-1-oxaspiro[4.5]decane
PubChem CID102899931
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name2-(3-bromopentyl)-1-oxaspiro[4.5]decane
SMILESCCC(Br)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25BrO/c1-2-12(15)6-7-13-8-11-14(16-13)9-4-3-5-10-14/h12-13H,2-11H2,1H3
InChIKeyGMXKJFCYGLLAAG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
CID 102899975
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
CID 102899958

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopentyl)-1-oxaspiro[4.5]decane?
The IUPAC name of 2-(3-bromopentyl)-1-oxaspiro[4.5]decane (CID 102899931) is 2-(3-bromopentyl)-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-(3-bromopentyl)-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-(3-bromopentyl)-1-oxaspiro[4.5]decane is CCC(Br)CCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(3-bromopentyl)-1-oxaspiro[4.5]decane?
The InChIKey is GMXKJFCYGLLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-2-12(15)6-7-13-8-11-14(16-13)9-4-3-5-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 2-(3-bromopentyl)-1-oxaspiro[4.5]decane?
2-(3-bromopentyl)-1-oxaspiro[4.5]decane has a molecular weight of 289.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopentyl)-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).