7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 14433381

IUPAC7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC1(C)OC2CCCC1O2
InChIInChI=1S/C8H14O2/c1-8(2)6-4-3-5-7(9-6)10-8/h6-7H,3-5H2,1-2H3
InChIKeyCZXPPWHTHPJSCK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds

About 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane

7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 14433381) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID14433381
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC1(C)OC2CCCC1O2
InChIInChI=1S/C8H14O2/c1-8(2)6-4-3-5-7(9-6)10-8/h6-7H,3-5H2,1-2H3
InChIKeyCZXPPWHTHPJSCK-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane (CID 14433381) is 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane is CC1(C)OC2CCCC1O2.
What is the InChIKey of 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is CZXPPWHTHPJSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6-4-3-5-7(9-6)10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 142.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 14433381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).