8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one

C12H18O2 — CID 70503057

IUPAC8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one
SMILESC=CCC1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H18O2/c1-2-3-10-4-7-12(8-5-10)9-6-11(13)14-12/h2,10H,1,3-9H2
InChIKeyZVGSFYXCEZJIGQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one

8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 70503057) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one
PubChem CID70503057
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one
SMILESC=CCC1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H18O2/c1-2-3-10-4-7-12(8-5-10)9-6-11(13)14-12/h2,10H,1,3-9H2
InChIKeyZVGSFYXCEZJIGQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one (CID 70503057) is 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one is C=CCC1CCC2(CCC(=O)O2)CC1.
What is the InChIKey of 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is ZVGSFYXCEZJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-10-4-7-12(8-5-10)9-6-11(13)14-12/h2,10H,1,3-9H2.
What are the key properties of 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one?
8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 70503057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).