2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane

C14H26O4 — CID 22910604

IUPAC2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
SMILESCCCC1COC(C2COC(CCC)OC2)OC1
InChIInChI=1S/C14H26O4/c1-3-5-11-7-17-14(18-8-11)12-9-15-13(6-4-2)16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyBZGRKUXBURMLLZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.56
Rot. Bonds5

About 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane

2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane (PubChem CID 22910604) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
PubChem CID22910604
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
SMILESCCCC1COC(C2COC(CCC)OC2)OC1
InChIInChI=1S/C14H26O4/c1-3-5-11-7-17-14(18-8-11)12-9-15-13(6-4-2)16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyBZGRKUXBURMLLZ-UHFFFAOYSA-N
XLogP2.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dipropyl-1,3-dioxane
CID 21043213
CID 59269076
CID 59269076
methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
CID 157489835
2-(4-chlorocyclohexyl)-5-propyl-1,3-dioxane
CID 70491984
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599496
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599518
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910567
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876728
5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876727
4-propyldioxolane
CID 174817920

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The IUPAC name of 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane (CID 22910604) is 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The canonical SMILES for 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane is CCCC1COC(C2COC(CCC)OC2)OC1.
What is the InChIKey of 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
The InChIKey is BZGRKUXBURMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-5-11-7-17-14(18-8-11)12-9-15-13(6-4-2)16-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane?
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane has a molecular weight of 258.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane is sourced from PubChem (CID 22910604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).