2-oxaspiro[4.5]decan-1-one

C9H14O2 — CID 20472

IUPAC2-oxaspiro[4.5]decan-1-one
SMILESO=C1OCCC12CCCCC2
InChIInChI=1S/C9H14O2/c10-8-9(6-7-11-8)4-2-1-3-5-9/h1-7H2
InChIKeyVZHLSIACSZGPGA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds

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

2-oxaspiro[4.5]decan-1-one (PubChem CID 20472) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-oxaspiro[4.5]decan-1-one
PubChem CID20472
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-oxaspiro[4.5]decan-1-one
SMILESO=C1OCCC12CCCCC2
InChIInChI=1S/C9H14O2/c10-8-9(6-7-11-8)4-2-1-3-5-9/h1-7H2
InChIKeyVZHLSIACSZGPGA-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Hexyl-gamma-butyrolactone
CID 86736
1-Oxaspiro[4.5]decan-2-one
CID 12783
2-Oxaspiro(4.4)nonan-1-one
CID 15566992
2-Oxaspiro(4.5)decan-3-one
CID 23661
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
2-Oxaspiro(4,4)nonan-3-one
CID 21957
3-Oxaspiro(5,5)undecan-2-one
CID 22412
2(3H)-Furanone, dihydro-3-pentyl-
CID 559675
2-Oxaspiro(4.5)decane-1,3-dione
CID 2737101
3-Cyclohexyl-3-methyloxolane-2,5-dione
CID 13328987
2-Oxaspiro[4.6]undecane-1,3-dione
CID 12255259
3,3-Dimethyl-2-oxaspiro[4.5]decan-1-one
CID 2802933

Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 2-oxaspiro[4.5]decan-1-one (CID 20472) is 2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 2-oxaspiro[4.5]decan-1-one is O=C1OCCC12CCCCC2.
What is the InChIKey of 2-oxaspiro[4.5]decan-1-one?
The InChIKey is VZHLSIACSZGPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-9(6-7-11-8)4-2-1-3-5-9/h1-7H2.
What are the key properties of 2-oxaspiro[4.5]decan-1-one?
2-oxaspiro[4.5]decan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 20472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).