3-but-3-enyl-1-oxaspiro[4.5]decan-2-one

C13H20O2 — CID 10443046

IUPAC3-but-3-enyl-1-oxaspiro[4.5]decan-2-one
SMILESC=CCCC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H20O2/c1-2-3-7-11-10-13(15-12(11)14)8-5-4-6-9-13/h2,11H,1,3-10H2
InChIKeyHGHIDYMBDVMNSK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds3

About 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one

3-but-3-enyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 10443046) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-but-3-enyl-1-oxaspiro[4.5]decan-2-one
PubChem CID10443046
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-but-3-enyl-1-oxaspiro[4.5]decan-2-one
SMILESC=CCCC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H20O2/c1-2-3-7-11-10-13(15-12(11)14)8-5-4-6-9-13/h2,11H,1,3-10H2
InChIKeyHGHIDYMBDVMNSK-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
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 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one (CID 10443046) is 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one is C=CCCC1CC2(CCCCC2)OC1=O.
What is the InChIKey of 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is HGHIDYMBDVMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-7-11-10-13(15-12(11)14)8-5-4-6-9-13/h2,11H,1,3-10H2.
What are the key properties of 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one?
3-but-3-enyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 10443046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).