2-butyl-1-oxaspiro[4.5]decane

C13H24O — CID 154513555

IUPAC2-butyl-1-oxaspiro[4.5]decane
SMILESCCCCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24O/c1-2-3-7-12-8-11-13(14-12)9-5-4-6-10-13/h12H,2-11H2,1H3
InChIKeyLYKNMEIDUJZCFK-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.06
Rot. Bonds3

About 2-butyl-1-oxaspiro[4.5]decane

2-butyl-1-oxaspiro[4.5]decane (PubChem CID 154513555) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-butyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-butyl-1-oxaspiro[4.5]decane
PubChem CID154513555
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-butyl-1-oxaspiro[4.5]decane
SMILESCCCCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24O/c1-2-3-7-12-8-11-13(14-12)9-5-4-6-10-13/h12H,2-11H2,1H3
InChIKeyLYKNMEIDUJZCFK-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-butyl-1-oxaspiro[2.5]octane
CID 10877532
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-oxaspiro[4.5]decane?
The IUPAC name of 2-butyl-1-oxaspiro[4.5]decane (CID 154513555) is 2-butyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-butyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-butyl-1-oxaspiro[4.5]decane is CCCCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-butyl-1-oxaspiro[4.5]decane?
The InChIKey is LYKNMEIDUJZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-7-12-8-11-13(14-12)9-5-4-6-10-13/h12H,2-11H2,1H3.
What are the key properties of 2-butyl-1-oxaspiro[4.5]decane?
2-butyl-1-oxaspiro[4.5]decane has a molecular weight of 196.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 154513555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).