methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane

C17H36O4 — CID 157489835

IUPACmethane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
SMILESC.CCCC1COC(C)OC1.CCCC1OCC(C)CO1
InChIInChI=1S/2C8H16O2.CH4/c1-3-4-8-5-9-7(2)10-6-8;1-3-4-8-9-5-7(2)6-10-8;/h2*7-8H,3-6H2,1-2H3;1H4
InChIKeyBXDGYSFWNHHTPQ-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.23
Rot. Bonds4

About methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane

methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane (PubChem CID 157489835) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane.

Molecular Properties

Compound Namemethane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
PubChem CID157489835
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Namemethane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
SMILESC.CCCC1COC(C)OC1.CCCC1OCC(C)CO1
InChIInChI=1S/2C8H16O2.CH4/c1-3-4-8-5-9-7(2)10-6-8;1-3-4-8-9-5-7(2)6-10-8;/h2*7-8H,3-6H2,1-2H3;1H4
InChIKeyBXDGYSFWNHHTPQ-UHFFFAOYSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dipropyl-1,3-dioxane
CID 21043213
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
CID 59269076
CID 59269076
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158485618
4-propyldioxolane
CID 174817920
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412
tris(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158777415
2-butyl-5-ethyl-1,3-dioxane
CID 89076507
5-propyl-2-[2-(3,4,5-trifluorophenyl)ethyl]-1,3-dioxane
CID 20656959
5-propyl-1,3-dioxane
CID 12697738

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane?
The IUPAC name of methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane (CID 157489835) is methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane.
What is the SMILES notation for methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane?
The canonical SMILES for methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane is C.CCCC1COC(C)OC1.CCCC1OCC(C)CO1.
What is the InChIKey of methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane?
The InChIKey is BXDGYSFWNHHTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.CH4/c1-3-4-8-5-9-7(2)10-6-8;1-3-4-8-9-5-7(2)6-10-8;/h2*7-8H,3-6H2,1-2H3;1H4.
What are the key properties of methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane?
methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane has a molecular weight of 304.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane is sourced from PubChem (CID 157489835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).