1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine

C10H19NO3 — CID 59736604

IUPAC1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine
SMILESCC1CC2C(OCOCN2C)C(C)O1
InChIInChI=1S/C10H19NO3/c1-7-4-9-10(8(2)14-7)13-6-12-5-11(9)3/h7-10H,4-6H2,1-3H3
InChIKeyDKNIUZYSOUCUDR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.81
Rot. Bonds

About 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine

1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine (PubChem CID 59736604) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine.

Molecular Properties

Compound Name1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine
PubChem CID59736604
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine
SMILESCC1CC2C(OCOCN2C)C(C)O1
InChIInChI=1S/C10H19NO3/c1-7-4-9-10(8(2)14-7)13-6-12-5-11(9)3/h7-10H,4-6H2,1-3H3
InChIKeyDKNIUZYSOUCUDR-UHFFFAOYSA-N
XLogP0.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine?
The IUPAC name of 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine (CID 59736604) is 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine.
What is the SMILES notation for 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine?
The canonical SMILES for 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine is CC1CC2C(OCOCN2C)C(C)O1.
What is the InChIKey of 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine?
The InChIKey is DKNIUZYSOUCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-4-9-10(8(2)14-7)13-6-12-5-11(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine?
1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine has a molecular weight of 201.27 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trimethyl-2,5a,6,8,9,9a-hexahydropyrano[4,3-f][1,3,5]dioxazepine is sourced from PubChem (CID 59736604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).