1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate

C15H24O3 — CID 141445033

IUPAC1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1=CCOC12CCCCC2
InChIInChI=1S/C15H24O3/c1-4-14(2,3)13(16)18-12-8-11-17-15(12)9-6-5-7-10-15/h8H,4-7,9-11H2,1-3H3
InChIKeyMCOFSFUSXUQAFI-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.58
Rot. Bonds3

About 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate

1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (PubChem CID 141445033) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
PubChem CID141445033
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1=CCOC12CCCCC2
InChIInChI=1S/C15H24O3/c1-4-14(2,3)13(16)18-12-8-11-17-15(12)9-6-5-7-10-15/h8H,4-7,9-11H2,1-3H3
InChIKeyMCOFSFUSXUQAFI-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate?
The IUPAC name of 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CID 141445033) is 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate?
The canonical SMILES for 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1=CCOC12CCCCC2.
What is the InChIKey of 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate?
The InChIKey is MCOFSFUSXUQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-14(2,3)13(16)18-12-8-11-17-15(12)9-6-5-7-10-15/h8H,4-7,9-11H2,1-3H3.
What are the key properties of 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate?
1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate has a molecular weight of 252.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 141445033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).