2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane

C15H27BrO — CID 102899958

IUPAC2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
SMILESCC(C)C(CC1CCC2(CCCC2)O1)C(C)Br
InChIInChI=1S/C15H27BrO/c1-11(2)14(12(3)16)10-13-6-9-15(17-13)7-4-5-8-15/h11-14H,4-10H2,1-3H3
InChIKeyJPLZBGSPMAQHSJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.92
Rot. Bonds4

About 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane

2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane (PubChem CID 102899958) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
PubChem CID102899958
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Name2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
SMILESCC(C)C(CC1CCC2(CCCC2)O1)C(C)Br
InChIInChI=1S/C15H27BrO/c1-11(2)14(12(3)16)10-13-6-9-15(17-13)7-4-5-8-15/h11-14H,4-10H2,1-3H3
InChIKeyJPLZBGSPMAQHSJ-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.92
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

4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
CID 102899071
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
2-(3-bromo-2-methyl-3-phenylpropyl)-1-oxaspiro[4.5]decane
CID 102899979
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
2-(4-bromo-2,2-dimethylpentyl)-1-oxaspiro[4.4]nonane
CID 102901466
1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane (CID 102899958) is 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane is CC(C)C(CC1CCC2(CCCC2)O1)C(C)Br.
What is the InChIKey of 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane?
The InChIKey is JPLZBGSPMAQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c1-11(2)14(12(3)16)10-13-6-9-15(17-13)7-4-5-8-15/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane?
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane has a molecular weight of 303.28 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).