8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane

C15H22O2 — CID 85418656

IUPAC8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC#CC(C)(C)C1CC(=CC)CCC12OCCO2
InChIInChI=1S/C15H22O2/c1-5-12-7-8-15(16-9-10-17-15)13(11-12)14(3,4)6-2/h2,5,13H,7-11H2,1,3-4H3
InChIKeyYZVQZANUGQAUPC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.14
Rot. Bonds1

About 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane

8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 85418656) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID85418656
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC#CC(C)(C)C1CC(=CC)CCC12OCCO2
InChIInChI=1S/C15H22O2/c1-5-12-7-8-15(16-9-10-17-15)13(11-12)14(3,4)6-2/h2,5,13H,7-11H2,1,3-4H3
InChIKeyYZVQZANUGQAUPC-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane (CID 85418656) is 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane is C#CC(C)(C)C1CC(=CC)CCC12OCCO2.
What is the InChIKey of 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YZVQZANUGQAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-12-7-8-15(16-9-10-17-15)13(11-12)14(3,4)6-2/h2,5,13H,7-11H2,1,3-4H3.
What are the key properties of 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane?
8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 234.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 85418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).