7-methyl-6-oxaspiro[4.5]dec-7-en-10-one

C10H14O2 — CID 143146991

IUPAC7-methyl-6-oxaspiro[4.5]dec-7-en-10-one
SMILESCC1=CCC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4H,2-3,5-7H2,1H3
InChIKeyWFPIDUFBFWYZNO-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds

About 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one

7-methyl-6-oxaspiro[4.5]dec-7-en-10-one (PubChem CID 143146991) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one.

Molecular Properties

Compound Name7-methyl-6-oxaspiro[4.5]dec-7-en-10-one
PubChem CID143146991
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name7-methyl-6-oxaspiro[4.5]dec-7-en-10-one
SMILESCC1=CCC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4H,2-3,5-7H2,1H3
InChIKeyWFPIDUFBFWYZNO-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one?
The IUPAC name of 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one (CID 143146991) is 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one.
What is the SMILES notation for 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one?
The canonical SMILES for 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one is CC1=CCC(=O)C2(CCCC2)O1.
What is the InChIKey of 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one?
The InChIKey is WFPIDUFBFWYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one?
7-methyl-6-oxaspiro[4.5]dec-7-en-10-one has a molecular weight of 166.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxaspiro[4.5]dec-7-en-10-one is sourced from PubChem (CID 143146991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).