4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene

C16H26O3 — CID 143765684

IUPAC4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene
SMILESC1COC2COCOC2C1.CC.Cc1ccccc1
InChIInChI=1S/C7H12O3.C7H8.C2H6/c1-2-6-7(9-3-1)4-8-5-10-6;1-7-5-3-2-4-6-7;1-2/h6-7H,1-5H2;2-6H,1H3;1-2H3
InChIKeyJAGQOSUEXMULLM-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.56
Rot. Bonds

About 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene

4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene (PubChem CID 143765684) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene.

Molecular Properties

Compound Name4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene
PubChem CID143765684
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene
SMILESC1COC2COCOC2C1.CC.Cc1ccccc1
InChIInChI=1S/C7H12O3.C7H8.C2H6/c1-2-6-7(9-3-1)4-8-5-10-6;1-7-5-3-2-4-6-7;1-2/h6-7H,1-5H2;2-6H,1H3;1-2H3
InChIKeyJAGQOSUEXMULLM-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene?
The IUPAC name of 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene (CID 143765684) is 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene.
What is the SMILES notation for 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene?
The canonical SMILES for 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene is C1COC2COCOC2C1.CC.Cc1ccccc1.
What is the InChIKey of 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene?
The InChIKey is JAGQOSUEXMULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C7H8.C2H6/c1-2-6-7(9-3-1)4-8-5-10-6;1-7-5-3-2-4-6-7;1-2/h6-7H,1-5H2;2-6H,1H3;1-2H3.
What are the key properties of 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene?
4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene has a molecular weight of 266.38 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene is sourced from PubChem (CID 143765684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).