4-methyl-2,6-dioxabicyclo[3.2.1]octane

C7H12O2 — CID 143616702

IUPAC4-methyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2COC1C2
InChIInChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3
InChIKeyBSZMGUILDTWFQQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds

About 4-methyl-2,6-dioxabicyclo[3.2.1]octane

4-methyl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 143616702) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-methyl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID143616702
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2COC1C2
InChIInChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3
InChIKeyBSZMGUILDTWFQQ-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
CID 177218035
(2S,3S)-2,3-dimethyloxetane
CID 76764483
2-methyl-6-oxabicyclo[3.2.0]heptane
CID 89027469
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
(5S)-4-ethyl-2,5-dimethyloxane
CID 163593712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4-methyl-2,6-dioxabicyclo[3.2.1]octane (CID 143616702) is 4-methyl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4-methyl-2,6-dioxabicyclo[3.2.1]octane is CC1COC2COC1C2.
What is the InChIKey of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is BSZMGUILDTWFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
4-methyl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 128.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 143616702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).