3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one

C13H18O2 — CID 44817671

IUPAC3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=CCC1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C13H18O2/c1-3-7-11-10(2)12(14)15-13(11)8-5-4-6-9-13/h3H,1,4-9H2,2H3
InChIKeyJDFGYFWEQDDDEH-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds2

About 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one

3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 44817671) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID44817671
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=CCC1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C13H18O2/c1-3-7-11-10(2)12(14)15-13(11)8-5-4-6-9-13/h3H,1,4-9H2,2H3
InChIKeyJDFGYFWEQDDDEH-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
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-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 44817671) is 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one is C=CCC1=C(C)C(=O)OC12CCCCC2.
What is the InChIKey of 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is JDFGYFWEQDDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-7-11-10(2)12(14)15-13(11)8-5-4-6-9-13/h3H,1,4-9H2,2H3.
What are the key properties of 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 44817671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).