4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one

C15H22O2 — CID 83261946

IUPAC4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C15H22O2/c16-14-5-3-12(4-6-14)13-7-10-17-15(11-13)8-1-2-9-15/h3,13H,1-2,4-11H2
InChIKeyHBDHZDKVEMQMDE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.41
Rot. Bonds1

About 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one

4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one (PubChem CID 83261946) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one
PubChem CID83261946
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C15H22O2/c16-14-5-3-12(4-6-14)13-7-10-17-15(11-13)8-1-2-9-15/h3,13H,1-2,4-11H2
InChIKeyHBDHZDKVEMQMDE-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one?
The IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one (CID 83261946) is 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one is O=C1CC=C(C2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one?
The InChIKey is HBDHZDKVEMQMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-14-5-3-12(4-6-14)13-7-10-17-15(11-13)8-1-2-9-15/h3,13H,1-2,4-11H2.
What are the key properties of 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one?
4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one is sourced from PubChem (CID 83261946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).