3-methyl-4-methylidene-1-oxaspiro[4.5]decane

C11H18O — CID 134980787

IUPAC3-methyl-4-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1C(C)COC12CCCCC2
InChIInChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h9H,2-8H2,1H3
InChIKeySRKYQSSYPQJHOI-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds

About 3-methyl-4-methylidene-1-oxaspiro[4.5]decane

3-methyl-4-methylidene-1-oxaspiro[4.5]decane (PubChem CID 134980787) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-methyl-4-methylidene-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-4-methylidene-1-oxaspiro[4.5]decane
PubChem CID134980787
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-methyl-4-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1C(C)COC12CCCCC2
InChIInChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h9H,2-8H2,1H3
InChIKeySRKYQSSYPQJHOI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methyl-4-methylidene-1-oxaspiro[4.5]decane?
The IUPAC name of 3-methyl-4-methylidene-1-oxaspiro[4.5]decane (CID 134980787) is 3-methyl-4-methylidene-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-4-methylidene-1-oxaspiro[4.5]decane?
The canonical SMILES for 3-methyl-4-methylidene-1-oxaspiro[4.5]decane is C=C1C(C)COC12CCCCC2.
What is the InChIKey of 3-methyl-4-methylidene-1-oxaspiro[4.5]decane?
The InChIKey is SRKYQSSYPQJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h9H,2-8H2,1H3.
What are the key properties of 3-methyl-4-methylidene-1-oxaspiro[4.5]decane?
3-methyl-4-methylidene-1-oxaspiro[4.5]decane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-1-oxaspiro[4.5]decane is sourced from PubChem (CID 134980787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).