2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane

C16H28O5 — CID 67192270

IUPAC2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
SMILESC1COC(CCC2(CCC3OCCCO3)CCCO2)OC1
InChIInChI=1S/C16H28O5/c1-6-16(21-13-1,7-4-14-17-9-2-10-18-14)8-5-15-19-11-3-12-20-15/h14-15H,1-13H2
InChIKeyDSGYELFACWMMOK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane

2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane (PubChem CID 67192270) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
PubChem CID67192270
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
SMILESC1COC(CCC2(CCC3OCCCO3)CCCO2)OC1
InChIInChI=1S/C16H28O5/c1-6-16(21-13-1,7-4-14-17-9-2-10-18-14)8-5-15-19-11-3-12-20-15/h14-15H,1-13H2
InChIKeyDSGYELFACWMMOK-UHFFFAOYSA-N
XLogP2.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane (CID 67192270) is 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane is C1COC(CCC2(CCC3OCCCO3)CCCO2)OC1.
What is the InChIKey of 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The InChIKey is DSGYELFACWMMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-6-16(21-13-1,7-4-14-17-9-2-10-18-14)8-5-15-19-11-3-12-20-15/h14-15H,1-13H2.
What are the key properties of 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane has a molecular weight of 300.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 67192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).