6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane

C11H18O2 — CID 162442255

IUPAC6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane
SMILESC=C1CCC2(OCCO2)C(C)(C)C1
InChIInChI=1S/C11H18O2/c1-9-4-5-11(10(2,3)8-9)12-6-7-13-11/h1,4-8H2,2-3H3
InChIKeyQNXMGMSOOXAETO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds

About 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane

6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 162442255) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane
PubChem CID162442255
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane
SMILESC=C1CCC2(OCCO2)C(C)(C)C1
InChIInChI=1S/C11H18O2/c1-9-4-5-11(10(2,3)8-9)12-6-7-13-11/h1,4-8H2,2-3H3
InChIKeyQNXMGMSOOXAETO-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane (CID 162442255) is 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane is C=C1CCC2(OCCO2)C(C)(C)C1.
What is the InChIKey of 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is QNXMGMSOOXAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-5-11(10(2,3)8-9)12-6-7-13-11/h1,4-8H2,2-3H3.
What are the key properties of 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane?
6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 162442255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).