10-acetyl-9-methylspiro[4.5]dec-8-en-7-one

C13H18O2 — CID 68723788

IUPAC10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
SMILESCC(=O)C1C(C)=CC(=O)CC12CCCC2
InChIInChI=1S/C13H18O2/c1-9-7-11(15)8-13(5-3-4-6-13)12(9)10(2)14/h7,12H,3-6,8H2,1-2H3
InChIKeyHZGKXGXBMBOBBY-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.67
Rot. Bonds1

About 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one

10-acetyl-9-methylspiro[4.5]dec-8-en-7-one (PubChem CID 68723788) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one.

Molecular Properties

Compound Name10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
PubChem CID68723788
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
SMILESCC(=O)C1C(C)=CC(=O)CC12CCCC2
InChIInChI=1S/C13H18O2/c1-9-7-11(15)8-13(5-3-4-6-13)12(9)10(2)14/h7,12H,3-6,8H2,1-2H3
InChIKeyHZGKXGXBMBOBBY-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one?
The IUPAC name of 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one (CID 68723788) is 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one.
What is the SMILES notation for 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one?
The canonical SMILES for 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one is CC(=O)C1C(C)=CC(=O)CC12CCCC2.
What is the InChIKey of 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one?
The InChIKey is HZGKXGXBMBOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-11(15)8-13(5-3-4-6-13)12(9)10(2)14/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one?
10-acetyl-9-methylspiro[4.5]dec-8-en-7-one has a molecular weight of 206.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-9-methylspiro[4.5]dec-8-en-7-one is sourced from PubChem (CID 68723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).