3-methyl-2-oxaspiro[4.5]decan-1-one

C10H16O2 — CID 12544863

IUPAC3-methyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1CC2(CCCCC2)C(=O)O1
InChIInChI=1S/C10H16O2/c1-8-7-10(9(11)12-8)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeySLXVWENSSMKDLW-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds

About 3-methyl-2-oxaspiro[4.5]decan-1-one

3-methyl-2-oxaspiro[4.5]decan-1-one (PubChem CID 12544863) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-2-oxaspiro[4.5]decan-1-one
PubChem CID12544863
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1CC2(CCCCC2)C(=O)O1
InChIInChI=1S/C10H16O2/c1-8-7-10(9(11)12-8)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeySLXVWENSSMKDLW-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-2-oxaspiro[4.5]decan-1-one (CID 12544863) is 3-methyl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-2-oxaspiro[4.5]decan-1-one is CC1CC2(CCCCC2)C(=O)O1.
What is the InChIKey of 3-methyl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is SLXVWENSSMKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-7-10(9(11)12-8)5-3-2-4-6-10/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-2-oxaspiro[4.5]decan-1-one?
3-methyl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 12544863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).