1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane

C10H18O2 — CID 3305106

IUPAC1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC1OC2(C)OC1(C)CCC2C
InChIInChI=1S/C10H18O2/c1-7-5-6-9(3)8(2)11-10(7,4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyYFRSJJSTFZPUSX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds

About 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane

1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 3305106) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID3305106
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC1OC2(C)OC1(C)CCC2C
InChIInChI=1S/C10H18O2/c1-7-5-6-9(3)8(2)11-10(7,4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyYFRSJJSTFZPUSX-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane (CID 3305106) is 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane is CC1OC2(C)OC1(C)CCC2C.
What is the InChIKey of 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is YFRSJJSTFZPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-6-9(3)8(2)11-10(7,4)12-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane?
1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 3305106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).