3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 58035433

IUPAC3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1OC2COC(C2)C1C
InChIInChI=1S/C8H14O2/c1-5-6(2)10-7-3-8(5)9-4-7/h5-8H,3-4H2,1-2H3
InChIKeyQVPBVAPFHJPQEB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds

About 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane

3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 58035433) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID58035433
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1OC2COC(C2)C1C
InChIInChI=1S/C8H14O2/c1-5-6(2)10-7-3-8(5)9-4-7/h5-8H,3-4H2,1-2H3
InChIKeyQVPBVAPFHJPQEB-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dioxaspiro[4.5]decane
CID 112489929
3-Methoxy-4-(2-methylbutyl)oxolane
CID 59491023
(1R,2R,5S)-2-[(2S)-butan-2-yl]-3,6-dioxabicyclo[3.1.0]hexane
CID 58208623
CID 58210448
CID 58210448
7-Methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane
CID 59650741
5-Ethyl-2-(methoxymethyl)oxane
CID 59760612
(1R*,3R*,6S*)-3-(Methoxymethyl)oxabicyclo[4.1.0]heptane
CID 68451539
2-Butan-2-yl-3,4-diethoxyoxolane
CID 71243430
3-(Methoxymethyl)oxabicyclo[4.1.0]heptane
CID 77501790
(1R,2R,5S)-2-butan-2-yl-3,6-dioxabicyclo[3.1.0]hexane
CID 88956071
2-Butan-2-yl-3-ethoxy-4-methyloxolane
CID 89771570
(2S,3S)-6-(methoxymethyl)-2,3-dimethyloxane
CID 89946034

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane (CID 58035433) is 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane is CC1OC2COC(C2)C1C.
What is the InChIKey of 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is QVPBVAPFHJPQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-6(2)10-7-3-8(5)9-4-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 58035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).