(4E)-4-ethylidenespiro[4.5]decan-3-one

C12H18O — CID 14969052

IUPAC(4E)-4-ethylidenespiro[4.5]decan-3-one
SMILESC/C=C1/C(=O)CCC12CCCCC2
InChIInChI=1S/C12H18O/c1-2-10-11(13)6-9-12(10)7-4-3-5-8-12/h2H,3-9H2,1H3/b10-2-
InChIKeyBWQVBLCEYQEDER-SGAXSIHGSA-N
MW178.28 g/mol
LogP3.25
Rot. Bonds

About (4E)-4-ethylidenespiro[4.5]decan-3-one

(4E)-4-ethylidenespiro[4.5]decan-3-one (PubChem CID 14969052) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E)-4-ethylidenespiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4E)-4-ethylidenespiro[4.5]decan-3-one
PubChem CID14969052
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(4E)-4-ethylidenespiro[4.5]decan-3-one
SMILESC/C=C1/C(=O)CCC12CCCCC2
InChIInChI=1S/C12H18O/c1-2-10-11(13)6-9-12(10)7-4-3-5-8-12/h2H,3-9H2,1H3/b10-2-
InChIKeyBWQVBLCEYQEDER-SGAXSIHGSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethylidene-3,3-dimethylcyclohexan-1-one
CID 24976474
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
spiro[13.14]octacosan-28-one
CID 12738452
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
spiro[5.7]tridecane-9,13-dione
CID 155931279
(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide
CID 164658776
6-fluoro-8-methylspiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
CID 165483161
4-acetyl-3-methylspiro[5.5]undec-3-en-5-one
CID 101226801
9-azaspiro[6.10]heptadecane-8,10-dione
CID 69440147
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
dispiro[5.1.58.36]hexadecane-14,16-dione
CID 163588226
2,3-dimethylspiro[4.5]dec-2-en-4-one
CID 14809990

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidenespiro[4.5]decan-3-one?
The IUPAC name of (4E)-4-ethylidenespiro[4.5]decan-3-one (CID 14969052) is (4E)-4-ethylidenespiro[4.5]decan-3-one.
What is the SMILES notation for (4E)-4-ethylidenespiro[4.5]decan-3-one?
The canonical SMILES for (4E)-4-ethylidenespiro[4.5]decan-3-one is C/C=C1/C(=O)CCC12CCCCC2.
What is the InChIKey of (4E)-4-ethylidenespiro[4.5]decan-3-one?
The InChIKey is BWQVBLCEYQEDER-SGAXSIHGSA-N. The full InChI is InChI=1S/C12H18O/c1-2-10-11(13)6-9-12(10)7-4-3-5-8-12/h2H,3-9H2,1H3/b10-2-.
What are the key properties of (4E)-4-ethylidenespiro[4.5]decan-3-one?
(4E)-4-ethylidenespiro[4.5]decan-3-one has a molecular weight of 178.28 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidenespiro[4.5]decan-3-one is sourced from PubChem (CID 14969052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).