3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane

C11H18O2 — CID 13205523

IUPAC3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane
SMILESC=C1OC2(CCCCC2)OC1(C)C
InChIInChI=1S/C11H18O2/c1-9-10(2,3)13-11(12-9)7-5-4-6-8-11/h1,4-8H2,2-3H3
InChIKeyIZWJGSITTYJCHR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds

About 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane

3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 13205523) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane
PubChem CID13205523
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane
SMILESC=C1OC2(CCCCC2)OC1(C)C
InChIInChI=1S/C11H18O2/c1-9-10(2,3)13-11(12-9)7-5-4-6-8-11/h1,4-8H2,2-3H3
InChIKeyIZWJGSITTYJCHR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane (CID 13205523) is 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane is C=C1OC2(CCCCC2)OC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is IZWJGSITTYJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-10(2,3)13-11(12-9)7-5-4-6-8-11/h1,4-8H2,2-3H3.
What are the key properties of 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane?
3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 13205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).