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

C15H22O2 — CID 11368320

IUPAC8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane
SMILESCCCCC#CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-12-13-17-15/h7H,2-4,8-13H2,1H3
InChIKeySFFYRJZAUOXOMC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.42
Rot. Bonds2

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

8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 11368320) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane
PubChem CID11368320
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane
SMILESCCCCC#CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-12-13-17-15/h7H,2-4,8-13H2,1H3
InChIKeySFFYRJZAUOXOMC-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane (CID 11368320) is 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane is CCCCC#CC=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is SFFYRJZAUOXOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-12-13-17-15/h7H,2-4,8-13H2,1H3.
What are the key properties of 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane?
8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 234.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hept-2-ynylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11368320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).