2-methyl-1,12-dioxaspiro[5.6]dodecane

C11H20O2 — CID 14729907

IUPAC2-methyl-1,12-dioxaspiro[5.6]dodecane
SMILESCC1CCCC2(CCCCCO2)O1
InChIInChI=1S/C11H20O2/c1-10-6-5-8-11(13-10)7-3-2-4-9-12-11/h10H,2-9H2,1H3
InChIKeyWLQFFPNTGKKCAI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds

About 2-methyl-1,12-dioxaspiro[5.6]dodecane

2-methyl-1,12-dioxaspiro[5.6]dodecane (PubChem CID 14729907) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1,12-dioxaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-methyl-1,12-dioxaspiro[5.6]dodecane
PubChem CID14729907
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1,12-dioxaspiro[5.6]dodecane
SMILESCC1CCCC2(CCCCCO2)O1
InChIInChI=1S/C11H20O2/c1-10-6-5-8-11(13-10)7-3-2-4-9-12-11/h10H,2-9H2,1H3
InChIKeyWLQFFPNTGKKCAI-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Olean
CID 67437
7-Methyl-1,6-dioxaspiro(4.5)decane
CID 11116296
2-Hexyl-2,4-dimethyl-1,3-dioxane
CID 22718
6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1R-exo)-
CID 98954
2-Methyl-1,6-dioxaspiro(4.5)decane
CID 568216
2-Methyl-1,7-dioxaspiro[5.5]undecane
CID 12705588
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 14271012
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
CID 14271034
2-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
CID 15613616
Brevicomin
CID 181255
(1R,5S,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 182344
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
CID 155085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,12-dioxaspiro[5.6]dodecane?
The IUPAC name of 2-methyl-1,12-dioxaspiro[5.6]dodecane (CID 14729907) is 2-methyl-1,12-dioxaspiro[5.6]dodecane.
What is the SMILES notation for 2-methyl-1,12-dioxaspiro[5.6]dodecane?
The canonical SMILES for 2-methyl-1,12-dioxaspiro[5.6]dodecane is CC1CCCC2(CCCCCO2)O1.
What is the InChIKey of 2-methyl-1,12-dioxaspiro[5.6]dodecane?
The InChIKey is WLQFFPNTGKKCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10-6-5-8-11(13-10)7-3-2-4-9-12-11/h10H,2-9H2,1H3.
What are the key properties of 2-methyl-1,12-dioxaspiro[5.6]dodecane?
2-methyl-1,12-dioxaspiro[5.6]dodecane has a molecular weight of 184.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,12-dioxaspiro[5.6]dodecane is sourced from PubChem (CID 14729907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).