4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one

C14H20O3 — CID 11230104

IUPAC4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)=CCOC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C14H20O3/c1-11(2)6-9-16-12-10-13(15)17-14(12)7-4-3-5-8-14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUTLVVCRGIMRMJT-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds3

About 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one

4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 11230104) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID11230104
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)=CCOC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C14H20O3/c1-11(2)6-9-16-12-10-13(15)17-14(12)7-4-3-5-8-14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUTLVVCRGIMRMJT-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one (CID 11230104) is 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one is CC(C)=CCOC1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is UTLVVCRGIMRMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)6-9-16-12-10-13(15)17-14(12)7-4-3-5-8-14/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enoxy)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 11230104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).