2,8-dioxabicyclo[5.2.1]decane

C8H14O2 — CID 91124831

IUPAC2,8-dioxabicyclo[5.2.1]decane
SMILESC1CCC2CC(CO2)OC1
InChIInChI=1S/C8H14O2/c1-2-4-9-8-5-7(3-1)10-6-8/h7-8H,1-6H2
InChIKeyIDBPXIALGNHORV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds

About 2,8-dioxabicyclo[5.2.1]decane

2,8-dioxabicyclo[5.2.1]decane (PubChem CID 91124831) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,8-dioxabicyclo[5.2.1]decane.

Molecular Properties

Compound Name2,8-dioxabicyclo[5.2.1]decane
PubChem CID91124831
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,8-dioxabicyclo[5.2.1]decane
SMILESC1CCC2CC(CO2)OC1
InChIInChI=1S/C8H14O2/c1-2-4-9-8-5-7(3-1)10-6-8/h7-8H,1-6H2
InChIKeyIDBPXIALGNHORV-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dioxabicyclo[7.2.1]dodecane
CID 45098511
benzene;methyl(oxan-2-yl)silane
CID 174962664
oxan-2-ylsilylformic acid
CID 123628710
cyclopropylmethyl(oxan-2-yl)silane
CID 123294411
cyclooctylmethyl(oxan-2-yl)silane
CID 123628291
N-(oxan-2-ylsilyl)ethanamine
CID 175091050
oxan-2-yl(prop-2-enyl)silane
CID 123822930
oxan-2-yl(phenyl)silane
CID 123640757
(2S)-2-(fluoromethyl)oxane
CID 126712338
CID 59102179
CID 59102179
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-methyloxane;hydrochloride
CID 141105834

Frequently Asked Questions

What is the IUPAC name of 2,8-dioxabicyclo[5.2.1]decane?
The IUPAC name of 2,8-dioxabicyclo[5.2.1]decane (CID 91124831) is 2,8-dioxabicyclo[5.2.1]decane.
What is the SMILES notation for 2,8-dioxabicyclo[5.2.1]decane?
The canonical SMILES for 2,8-dioxabicyclo[5.2.1]decane is C1CCC2CC(CO2)OC1.
What is the InChIKey of 2,8-dioxabicyclo[5.2.1]decane?
The InChIKey is IDBPXIALGNHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-9-8-5-7(3-1)10-6-8/h7-8H,1-6H2.
What are the key properties of 2,8-dioxabicyclo[5.2.1]decane?
2,8-dioxabicyclo[5.2.1]decane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dioxabicyclo[5.2.1]decane is sourced from PubChem (CID 91124831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).