8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane

C15H22O2 — CID 11107282

IUPAC8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2C(=C3CCC4(CC3)OCCO4)C2C1
InChIInChI=1S/C15H22O2/c1-2-4-13-12(3-1)14(13)11-5-7-15(8-6-11)16-9-10-17-15/h12-13H,1-10H2
InChIKeySTVLFXWPEAXWNB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.42
Rot. Bonds

About 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane

8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 11107282) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID11107282
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2C(=C3CCC4(CC3)OCCO4)C2C1
InChIInChI=1S/C15H22O2/c1-2-4-13-12(3-1)14(13)11-5-7-15(8-6-11)16-9-10-17-15/h12-13H,1-10H2
InChIKeySTVLFXWPEAXWNB-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.42
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-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
8-(thian-4-ylidene)-1,4-dioxaspiro[4.5]decane
CID 11776456
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
CID 10695236
(1R,6S)-7-[(1S,6S)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
CID 98158448
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
CID 158702371
CID 158702371
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-azaspiro[3.3]heptane
CID 79670497
4,9-dioxaspiro[2.6]nonane
CID 68651979

Frequently Asked Questions

What is the IUPAC name of 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane (CID 11107282) is 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane is C1CCC2C(=C3CCC4(CC3)OCCO4)C2C1.
What is the InChIKey of 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is STVLFXWPEAXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-4-13-12(3-1)14(13)11-5-7-15(8-6-11)16-9-10-17-15/h12-13H,1-10H2.
What are the key properties of 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane?
8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 234.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11107282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).