(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C13H20O2 — CID 10846054

IUPAC(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC/C=C1\C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H20O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5,8H,6-7,9H2,1-4H3/b11-5+
InChIKeyWYKPWWYRVNJHFE-VZUCSPMQSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds

About (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10846054) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10846054
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC/C=C1\C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H20O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5,8H,6-7,9H2,1-4H3/b11-5+
InChIKeyWYKPWWYRVNJHFE-VZUCSPMQSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-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 (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10846054) is (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is C/C=C1\C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is WYKPWWYRVNJHFE-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5,8H,6-7,9H2,1-4H3/b11-5+.
What are the key properties of (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10846054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).