2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane

C12H20O2 — CID 59761130

IUPAC2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane
SMILESC=C1CCC2(OC1)OC(C)C(C)C2C
InChIInChI=1S/C12H20O2/c1-8-5-6-12(13-7-8)10(3)9(2)11(4)14-12/h9-11H,1,5-7H2,2-4H3
InChIKeyLYIPDRSNEHBNIY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds

About 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane

2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane (PubChem CID 59761130) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane
PubChem CID59761130
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane
SMILESC=C1CCC2(OC1)OC(C)C(C)C2C
InChIInChI=1S/C12H20O2/c1-8-5-6-12(13-7-8)10(3)9(2)11(4)14-12/h9-11H,1,5-7H2,2-4H3
InChIKeyLYIPDRSNEHBNIY-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
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 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane?
The IUPAC name of 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane (CID 59761130) is 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane is C=C1CCC2(OC1)OC(C)C(C)C2C.
What is the InChIKey of 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane?
The InChIKey is LYIPDRSNEHBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-5-6-12(13-7-8)10(3)9(2)11(4)14-12/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane?
2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 59761130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).