3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane

C7H12O4 — CID 15588101

IUPAC3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane
SMILESCC1COC2(OCCCO2)O1
InChIInChI=1S/C7H12O4/c1-6-5-10-7(11-6)8-3-2-4-9-7/h6H,2-5H2,1H3
InChIKeyAIAWXFYVJHFMHS-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.47
Rot. Bonds

About 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane

3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane (PubChem CID 15588101) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane
PubChem CID15588101
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane
SMILESCC1COC2(OCCCO2)O1
InChIInChI=1S/C7H12O4/c1-6-5-10-7(11-6)8-3-2-4-9-7/h6H,2-5H2,1H3
InChIKeyAIAWXFYVJHFMHS-UHFFFAOYSA-N
XLogP0.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(methoxymethyl)-1,3-dioxolan-2-one
CID 13706498
4-(Methoxymethyl)-1,3-dioxolan-2-one
CID 4384485
5-Methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 12322477
4-(Methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 15570874
5-Methoxy-1,3-dioxane
CID 68100796
(1R,4R,5R)-4-methoxy-4,5-dimethyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 134986542
5-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methoxy]-1,3-dioxan-2-one
CID 139204540
(4R,5R)-4-methoxy-4,5-dimethyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 176423514
(S)-(-)-4-(Methoxymethyl)-1,3-dioxolan-2-one
CID 11007941
4-(Methoxymethyl)-1,3-dioxolane
CID 12839329
Methyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate
CID 13628763
(S)-4-(Methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 15570875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane?
The IUPAC name of 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane (CID 15588101) is 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane?
The canonical SMILES for 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane is CC1COC2(OCCCO2)O1.
What is the InChIKey of 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane?
The InChIKey is AIAWXFYVJHFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-6-5-10-7(11-6)8-3-2-4-9-7/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane?
3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane has a molecular weight of 160.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane is sourced from PubChem (CID 15588101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).