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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Related Compounds

2-(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl)acetic acid
CID 68772605
4-butanoyl-3,5,5-trimethylcyclohex-2-en-1-one
CID 14890905
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
(4aR,6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 162961713
(6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 118477105
4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
CID 162866952
2-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetic acid
CID 163027111
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 102135965
4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 85401037
bis(propan-2-one);3,5,5-trimethylcyclohex-2-en-1-one
CID 19899303
(4aR,6R,8R,8aR)-8-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 24786662
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648

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).