(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane

C13H22O2 — CID 134897173

IUPAC(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane
SMILESCC(C)(C)/C=C1/CC12OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-11(2,3)6-10-7-13(10)14-8-12(4,5)9-15-13/h6H,7-9H2,1-5H3/b10-6-
InChIKeyRYSLDJRJFFULEY-POHAHGRESA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds

About (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane

(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane (PubChem CID 134897173) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane
PubChem CID134897173
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane
SMILESCC(C)(C)/C=C1/CC12OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-11(2,3)6-10-7-13(10)14-8-12(4,5)9-15-13/h6H,7-9H2,1-5H3/b10-6-
InChIKeyRYSLDJRJFFULEY-POHAHGRESA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane (CID 134897173) is (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane is CC(C)(C)/C=C1/CC12OCC(C)(C)CO2.
What is the InChIKey of (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane?
The InChIKey is RYSLDJRJFFULEY-POHAHGRESA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2,3)6-10-7-13(10)14-8-12(4,5)9-15-13/h6H,7-9H2,1-5H3/b10-6-.
What are the key properties of (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane?
(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane has a molecular weight of 210.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 134897173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).