8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one

C14H24O2 — CID 139533961

IUPAC8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one
SMILESCCCCC1CCC2(CC1)OC(=O)CC2C
InChIInChI=1S/C14H24O2/c1-3-4-5-12-6-8-14(9-7-12)11(2)10-13(15)16-14/h11-12H,3-10H2,1-2H3
InChIKeyCPSJGGQWTBQKTB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds3

About 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one

8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 139533961) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one
PubChem CID139533961
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one
SMILESCCCCC1CCC2(CC1)OC(=O)CC2C
InChIInChI=1S/C14H24O2/c1-3-4-5-12-6-8-14(9-7-12)11(2)10-13(15)16-14/h11-12H,3-10H2,1-2H3
InChIKeyCPSJGGQWTBQKTB-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one (CID 139533961) is 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one is CCCCC1CCC2(CC1)OC(=O)CC2C.
What is the InChIKey of 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is CPSJGGQWTBQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-12-6-8-14(9-7-12)11(2)10-13(15)16-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one?
8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 139533961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).