8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene

C10H12O2 — CID 102391662

IUPAC8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC#CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H12O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h1,3H,4-8H2
InChIKeyHOTQCCZQPWAFQQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.47
Rot. Bonds

About 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene

8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 102391662) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID102391662
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC#CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H12O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h1,3H,4-8H2
InChIKeyHOTQCCZQPWAFQQ-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 102391662) is 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene is C#CC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is HOTQCCZQPWAFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h1,3H,4-8H2.
What are the key properties of 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 164.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 102391662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).