3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one

C15H26O2 — CID 546104

IUPAC3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one
SMILESCC(C)(C)C(=O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26O2/c1-14(2,3)13(16)11-12-7-10-15(17-12)8-5-4-6-9-15/h12H,4-11H2,1-3H3
InChIKeyNDBWFQREKKWLBH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.87
Rot. Bonds2

About 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one

3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one (PubChem CID 546104) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one
PubChem CID546104
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one
SMILESCC(C)(C)C(=O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26O2/c1-14(2,3)13(16)11-12-7-10-15(17-12)8-5-4-6-9-15/h12H,4-11H2,1-3H3
InChIKeyNDBWFQREKKWLBH-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one (CID 546104) is 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one is CC(C)(C)C(=O)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one?
The InChIKey is NDBWFQREKKWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2,3)13(16)11-12-7-10-15(17-12)8-5-4-6-9-15/h12H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one?
3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-oxaspiro[4.5]decan-2-yl)butan-2-one is sourced from PubChem (CID 546104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).