1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one

C10H14O — CID 158129773

IUPAC1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
SMILESCC(=O)CC1C2(CC2)C12CC2
InChIInChI=1S/C10H14O/c1-7(11)6-8-9(2-3-9)10(8)4-5-10/h8H,2-6H2,1H3
InChIKeyFSPYIOUANNUQMX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one

1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one (PubChem CID 158129773) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one.

Molecular Properties

Compound Name1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
PubChem CID158129773
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
SMILESCC(=O)CC1C2(CC2)C12CC2
InChIInChI=1S/C10H14O/c1-7(11)6-8-9(2-3-9)10(8)4-5-10/h8H,2-6H2,1H3
InChIKeyFSPYIOUANNUQMX-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one?
The IUPAC name of 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one (CID 158129773) is 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one.
What is the SMILES notation for 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one?
The canonical SMILES for 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one is CC(=O)CC1C2(CC2)C12CC2.
What is the InChIKey of 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one?
The InChIKey is FSPYIOUANNUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(11)6-8-9(2-3-9)10(8)4-5-10/h8H,2-6H2,1H3.
What are the key properties of 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one?
1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one is sourced from PubChem (CID 158129773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).