8-cyclobutylidene-1,4-dioxaspiro[4.5]decane

C12H18O2 — CID 118423720

IUPAC8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
SMILESC1CC(=C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H18O2/c1-2-10(3-1)11-4-6-12(7-5-11)13-8-9-14-12/h1-9H2
InChIKeyUFHPTVBCIXLLKR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.78
Rot. Bonds

About 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane

8-cyclobutylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 118423720) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
PubChem CID118423720
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
SMILESC1CC(=C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H18O2/c1-2-10(3-1)11-4-6-12(7-5-11)13-8-9-14-12/h1-9H2
InChIKeyUFHPTVBCIXLLKR-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(thian-4-ylidene)-1,4-dioxaspiro[4.5]decane
CID 11776456
8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane
CID 11107282
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
CID 10695236
4,9-dioxaspiro[2.6]nonane
CID 68651979
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
1,4-dioxadispiro[4.1.57.15]tridecane
CID 177024973
3,3-dimethyl-9-[2,3,4-tris(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ylidene)cyclobutylidene]-1,5-dioxaspiro[5.5]undecane
CID 134981973
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 90858366

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane (CID 118423720) is 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane is C1CC(=C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is UFHPTVBCIXLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-10(3-1)11-4-6-12(7-5-11)13-8-9-14-12/h1-9H2.
What are the key properties of 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane?
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 194.27 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 118423720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).