4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane

C10H18O2 — CID 137392318

IUPAC4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC1(C)OC2CC1COC2(C)C
InChIInChI=1S/C10H18O2/c1-9(2)7-5-8(12-9)10(3,4)11-6-7/h7-8H,5-6H2,1-4H3
InChIKeyOPDFEPBRNVUWBT-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds

About 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane

4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane (PubChem CID 137392318) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane
PubChem CID137392318
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC1(C)OC2CC1COC2(C)C
InChIInChI=1S/C10H18O2/c1-9(2)7-5-8(12-9)10(3,4)11-6-7/h7-8H,5-6H2,1-4H3
InChIKeyOPDFEPBRNVUWBT-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane (CID 137392318) is 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane is CC1(C)OC2CC1COC2(C)C.
What is the InChIKey of 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane?
The InChIKey is OPDFEPBRNVUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-5-8(12-9)10(3,4)11-6-7/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane?
4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 137392318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).