4-methyl-6-oxaspiro[4.5]decan-3-one

C10H16O2 — CID 14028107

IUPAC4-methyl-6-oxaspiro[4.5]decan-3-one
SMILESCC1C(=O)CCC12CCCCO2
InChIInChI=1S/C10H16O2/c1-8-9(11)4-6-10(8)5-2-3-7-12-10/h8H,2-7H2,1H3
InChIKeyIPYZQAWHRVKTRT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds

About 4-methyl-6-oxaspiro[4.5]decan-3-one

4-methyl-6-oxaspiro[4.5]decan-3-one (PubChem CID 14028107) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-6-oxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-6-oxaspiro[4.5]decan-3-one
PubChem CID14028107
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-6-oxaspiro[4.5]decan-3-one
SMILESCC1C(=O)CCC12CCCCO2
InChIInChI=1S/C10H16O2/c1-8-9(11)4-6-10(8)5-2-3-7-12-10/h8H,2-7H2,1H3
InChIKeyIPYZQAWHRVKTRT-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-6-oxaspiro[4.5]decan-3-one (CID 14028107) is 4-methyl-6-oxaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-6-oxaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-6-oxaspiro[4.5]decan-3-one is CC1C(=O)CCC12CCCCO2.
What is the InChIKey of 4-methyl-6-oxaspiro[4.5]decan-3-one?
The InChIKey is IPYZQAWHRVKTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-9(11)4-6-10(8)5-2-3-7-12-10/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-6-oxaspiro[4.5]decan-3-one?
4-methyl-6-oxaspiro[4.5]decan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxaspiro[4.5]decan-3-one is sourced from PubChem (CID 14028107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).