spiro[2.3]hexan-6-one

C6H8O — CID 10877057

IUPACspiro[2.3]hexan-6-one
SMILESO=C1CCC12CC2
InChIInChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2
InChIKeyOIRNAOWGCPSZCJ-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.13
Rot. Bonds

About spiro[2.3]hexan-6-one

spiro[2.3]hexan-6-one (PubChem CID 10877057) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is spiro[2.3]hexan-6-one.

Molecular Properties

Compound Namespiro[2.3]hexan-6-one
PubChem CID10877057
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namespiro[2.3]hexan-6-one
SMILESO=C1CCC12CC2
InChIInChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2
InChIKeyOIRNAOWGCPSZCJ-UHFFFAOYSA-N
XLogP1.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.3]hexan-6-one?
The IUPAC name of spiro[2.3]hexan-6-one (CID 10877057) is spiro[2.3]hexan-6-one.
What is the SMILES notation for spiro[2.3]hexan-6-one?
The canonical SMILES for spiro[2.3]hexan-6-one is O=C1CCC12CC2.
What is the InChIKey of spiro[2.3]hexan-6-one?
The InChIKey is OIRNAOWGCPSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2.
What are the key properties of spiro[2.3]hexan-6-one?
spiro[2.3]hexan-6-one has a molecular weight of 96.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.3]hexan-6-one is sourced from PubChem (CID 10877057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).