4-methyl-1-oxaspiro[5.5]undecane

C11H20O — CID 3764775

IUPAC4-methyl-1-oxaspiro[5.5]undecane
SMILESCC1CCOC2(CCCCC2)C1
InChIInChI=1S/C11H20O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChIKeyNZQSUCLQBVGGNO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.14
Rot. Bonds

About 4-methyl-1-oxaspiro[5.5]undecane

4-methyl-1-oxaspiro[5.5]undecane (PubChem CID 3764775) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[5.5]undecane
PubChem CID3764775
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methyl-1-oxaspiro[5.5]undecane
SMILESCC1CCOC2(CCCCC2)C1
InChIInChI=1S/C11H20O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChIKeyNZQSUCLQBVGGNO-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-methyl-1-oxaspiro[5.5]undecane (CID 3764775) is 4-methyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-1-oxaspiro[5.5]undecane is CC1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-methyl-1-oxaspiro[5.5]undecane?
The InChIKey is NZQSUCLQBVGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h10H,2-9H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[5.5]undecane?
4-methyl-1-oxaspiro[5.5]undecane has a molecular weight of 168.28 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 3764775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).