spiro[4.5]dec-2-en-10-one

C10H14O — CID 12923984

IUPACspiro[4.5]dec-2-en-10-one
SMILESO=C1CCCCC12CC=CC2
InChIInChI=1S/C10H14O/c11-9-5-1-2-6-10(9)7-3-4-8-10/h3-4H,1-2,5-8H2
InChIKeyBQTJDXRPCPSPHE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds

About spiro[4.5]dec-2-en-10-one

spiro[4.5]dec-2-en-10-one (PubChem CID 12923984) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is spiro[4.5]dec-2-en-10-one.

Molecular Properties

Compound Namespiro[4.5]dec-2-en-10-one
PubChem CID12923984
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namespiro[4.5]dec-2-en-10-one
SMILESO=C1CCCCC12CC=CC2
InChIInChI=1S/C10H14O/c11-9-5-1-2-6-10(9)7-3-4-8-10/h3-4H,1-2,5-8H2
InChIKeyBQTJDXRPCPSPHE-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[4.5]dec-2-en-10-one?
The IUPAC name of spiro[4.5]dec-2-en-10-one (CID 12923984) is spiro[4.5]dec-2-en-10-one.
What is the SMILES notation for spiro[4.5]dec-2-en-10-one?
The canonical SMILES for spiro[4.5]dec-2-en-10-one is O=C1CCCCC12CC=CC2.
What is the InChIKey of spiro[4.5]dec-2-en-10-one?
The InChIKey is BQTJDXRPCPSPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-1-2-6-10(9)7-3-4-8-10/h3-4H,1-2,5-8H2.
What are the key properties of spiro[4.5]dec-2-en-10-one?
spiro[4.5]dec-2-en-10-one has a molecular weight of 150.22 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]dec-2-en-10-one is sourced from PubChem (CID 12923984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).