3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane

C11H18O — CID 10535067

IUPAC3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane
SMILESC=C1OC2(CCCCC2)C1(C)C
InChIInChI=1S/C11H18O/c1-9-10(2,3)11(12-9)7-5-4-6-8-11/h1,4-8H2,2-3H3
InChIKeyUSNMIADKVOBKNL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.26
Rot. Bonds

About 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane

3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane (PubChem CID 10535067) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane
PubChem CID10535067
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane
SMILESC=C1OC2(CCCCC2)C1(C)C
InChIInChI=1S/C11H18O/c1-9-10(2,3)11(12-9)7-5-4-6-8-11/h1,4-8H2,2-3H3
InChIKeyUSNMIADKVOBKNL-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane?
The IUPAC name of 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane (CID 10535067) is 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane?
The canonical SMILES for 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane is C=C1OC2(CCCCC2)C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane?
The InChIKey is USNMIADKVOBKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-10(2,3)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-oxaspiro[3.5]nonane?
3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane has a molecular weight of 166.26 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 10535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).