5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane

C12H22O5 — CID 130368124

IUPAC5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
SMILESCC1(COCC2(C)COCOC2)COCOC1
InChIInChI=1S/C12H22O5/c1-11(5-14-9-15-6-11)3-13-4-12(2)7-16-10-17-8-12/h3-10H2,1-2H3
InChIKeyYQYLXPUFBXQRCU-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.02
Rot. Bonds4

About 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane

5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane (PubChem CID 130368124) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
PubChem CID130368124
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
SMILESCC1(COCC2(C)COCOC2)COCOC1
InChIInChI=1S/C12H22O5/c1-11(5-14-9-15-6-11)3-13-4-12(2)7-16-10-17-8-12/h3-10H2,1-2H3
InChIKeyYQYLXPUFBXQRCU-UHFFFAOYSA-N
XLogP1.02
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane
CID 59660762
1-methyl-4-[(3-methyloxetan-3-yl)methoxymethyl]-2,6,7-trioxabicyclo[2.2.2]octane
CID 59660768
ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
CID 143729265
3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane
CID 58988708
dimethoxy-methyl-[(3-methyloxetan-3-yl)methoxymethyl]silane
CID 18715864
trimethoxy-[2-[(3-methyloxetan-3-yl)methoxy]ethyl]silane
CID 59725406
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
3-methyl-3-(pent-4-enoxymethyl)oxetane
CID 154121324
ethoxyethane;bis(3-ethyl-3-methyloxetane)
CID 69107324
7,7-dimethyl-1,3,5-trioxocane
CID 145482974
3-methyl-3-(1,2,2-trifluoroethoxymethyl)oxetane
CID 22247113
3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetane
CID 22247104

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane?
The IUPAC name of 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane (CID 130368124) is 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane.
What is the SMILES notation for 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane?
The canonical SMILES for 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane is CC1(COCC2(C)COCOC2)COCOC1.
What is the InChIKey of 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane?
The InChIKey is YQYLXPUFBXQRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-11(5-14-9-15-6-11)3-13-4-12(2)7-16-10-17-8-12/h3-10H2,1-2H3.
What are the key properties of 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane?
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane has a molecular weight of 246.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane is sourced from PubChem (CID 130368124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).