1-spiro[4.5]dec-9-en-10-ylethanone

C12H18O — CID 68725898

IUPAC1-spiro[4.5]dec-9-en-10-ylethanone
SMILESCC(=O)C1=CCCCC12CCCC2
InChIInChI=1S/C12H18O/c1-10(13)11-6-2-3-7-12(11)8-4-5-9-12/h6H,2-5,7-9H2,1H3
InChIKeyGKOZBNNYDQYXAK-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.25
Rot. Bonds1

About 1-spiro[4.5]dec-9-en-10-ylethanone

1-spiro[4.5]dec-9-en-10-ylethanone (PubChem CID 68725898) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-spiro[4.5]dec-9-en-10-ylethanone.

Molecular Properties

Compound Name1-spiro[4.5]dec-9-en-10-ylethanone
PubChem CID68725898
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1-spiro[4.5]dec-9-en-10-ylethanone
SMILESCC(=O)C1=CCCCC12CCCC2
InChIInChI=1S/C12H18O/c1-10(13)11-6-2-3-7-12(11)8-4-5-9-12/h6H,2-5,7-9H2,1H3
InChIKeyGKOZBNNYDQYXAK-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[4.5]dec-9-en-10-ylethanone?
The IUPAC name of 1-spiro[4.5]dec-9-en-10-ylethanone (CID 68725898) is 1-spiro[4.5]dec-9-en-10-ylethanone.
What is the SMILES notation for 1-spiro[4.5]dec-9-en-10-ylethanone?
The canonical SMILES for 1-spiro[4.5]dec-9-en-10-ylethanone is CC(=O)C1=CCCCC12CCCC2.
What is the InChIKey of 1-spiro[4.5]dec-9-en-10-ylethanone?
The InChIKey is GKOZBNNYDQYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10(13)11-6-2-3-7-12(11)8-4-5-9-12/h6H,2-5,7-9H2,1H3.
What are the key properties of 1-spiro[4.5]dec-9-en-10-ylethanone?
1-spiro[4.5]dec-9-en-10-ylethanone has a molecular weight of 178.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.5]dec-9-en-10-ylethanone is sourced from PubChem (CID 68725898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).