8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane

C14H20O2 — CID 102310427

IUPAC8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane
SMILESC=C(C)C(C)=C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20O2/c1-11(2)12(3)10-13-4-6-14(7-5-13)15-8-9-16-14/h1,4-9H2,2-3H3
InChIKeyMJZAOAZSIDVKTO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.35
Rot. Bonds1

About 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane

8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 102310427) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID102310427
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane
SMILESC=C(C)C(C)=C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20O2/c1-11(2)12(3)10-13-4-6-14(7-5-13)15-8-9-16-14/h1,4-9H2,2-3H3
InChIKeyMJZAOAZSIDVKTO-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane 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-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane (CID 102310427) is 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane is C=C(C)C(C)=C=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is MJZAOAZSIDVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)12(3)10-13-4-6-14(7-5-13)15-8-9-16-14/h1,4-9H2,2-3H3.
What are the key properties of 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane?
8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 220.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylbuta-1,3-dienylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 102310427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).