3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane

C15H28O2 — CID 91260491

IUPAC3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
SMILESCC.CC.CC1=C(C)C2(CCCCC2)OC1=O
InChIInChI=1S/C11H16O2.2C2H6/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyYMYQYDBUGLIZDU-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds

About 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane

3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane (PubChem CID 91260491) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
PubChem CID91260491
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
SMILESCC.CC.CC1=C(C)C2(CCCCC2)OC1=O
InChIInChI=1S/C11H16O2.2C2H6/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyYMYQYDBUGLIZDU-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane?
The IUPAC name of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane (CID 91260491) is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane.
What is the SMILES notation for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane?
The canonical SMILES for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane is CC.CC.CC1=C(C)C2(CCCCC2)OC1=O.
What is the InChIKey of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane?
The InChIKey is YMYQYDBUGLIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.2C2H6/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane?
3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane has a molecular weight of 240.39 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane is sourced from PubChem (CID 91260491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).