8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane

C12H16O2 — CID 102051155

IUPAC8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane
SMILESCC#CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H16O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h4H,5-10H2,1H3
InChIKeyGIOKYIAHKQTAQQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.25
Rot. Bonds

About 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane

8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 102051155) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane
PubChem CID102051155
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane
SMILESCC#CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H16O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h4H,5-10H2,1H3
InChIKeyGIOKYIAHKQTAQQ-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane (CID 102051155) is 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane is CC#CC=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is GIOKYIAHKQTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h4H,5-10H2,1H3.
What are the key properties of 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane?
8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 192.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-ynylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 102051155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).