1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

C15H22O — CID 15405344

IUPAC1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one
SMILESC=CCCC(=O)C1=CCCC2(CCCC2)C1
InChIInChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,7H,1,3-6,8-12H2
InChIKeyWPFFGMCNILGTEA-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.19
Rot. Bonds4

About 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one

1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one (PubChem CID 15405344) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one.

Molecular Properties

Compound Name1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one
PubChem CID15405344
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one
SMILESC=CCCC(=O)C1=CCCC2(CCCC2)C1
InChIInChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,7H,1,3-6,8-12H2
InChIKeyWPFFGMCNILGTEA-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.19
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 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one?
The IUPAC name of 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one (CID 15405344) is 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one.
What is the SMILES notation for 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one?
The canonical SMILES for 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one is C=CCCC(=O)C1=CCCC2(CCCC2)C1.
What is the InChIKey of 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one?
The InChIKey is WPFFGMCNILGTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,7H,1,3-6,8-12H2.
What are the key properties of 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one?
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one is sourced from PubChem (CID 15405344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).