1-spiro[3.4]octan-8-ylpropan-1-one

C11H18O — CID 131079751

IUPAC1-spiro[3.4]octan-8-ylpropan-1-one
SMILESCCC(=O)C1CCCC12CCC2
InChIInChI=1S/C11H18O/c1-2-10(12)9-5-3-6-11(9)7-4-8-11/h9H,2-8H2,1H3
InChIKeyGLIDZZBTYPDBMX-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds2

About 1-spiro[3.4]octan-8-ylpropan-1-one

1-spiro[3.4]octan-8-ylpropan-1-one (PubChem CID 131079751) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-spiro[3.4]octan-8-ylpropan-1-one.

Molecular Properties

Compound Name1-spiro[3.4]octan-8-ylpropan-1-one
PubChem CID131079751
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-spiro[3.4]octan-8-ylpropan-1-one
SMILESCCC(=O)C1CCCC12CCC2
InChIInChI=1S/C11H18O/c1-2-10(12)9-5-3-6-11(9)7-4-8-11/h9H,2-8H2,1H3
InChIKeyGLIDZZBTYPDBMX-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[3.4]octan-8-ylpropan-1-one?
The IUPAC name of 1-spiro[3.4]octan-8-ylpropan-1-one (CID 131079751) is 1-spiro[3.4]octan-8-ylpropan-1-one.
What is the SMILES notation for 1-spiro[3.4]octan-8-ylpropan-1-one?
The canonical SMILES for 1-spiro[3.4]octan-8-ylpropan-1-one is CCC(=O)C1CCCC12CCC2.
What is the InChIKey of 1-spiro[3.4]octan-8-ylpropan-1-one?
The InChIKey is GLIDZZBTYPDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-10(12)9-5-3-6-11(9)7-4-8-11/h9H,2-8H2,1H3.
What are the key properties of 1-spiro[3.4]octan-8-ylpropan-1-one?
1-spiro[3.4]octan-8-ylpropan-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[3.4]octan-8-ylpropan-1-one is sourced from PubChem (CID 131079751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).