5-methyl-6,8-dioxabicyclo[3.2.1]octane

C7H12O2 — CID 13296222

IUPAC5-methyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC12CCCC(CO1)O2
InChIInChI=1S/C7H12O2/c1-7-4-2-3-6(9-7)5-8-7/h6H,2-5H2,1H3
InChIKeyIHCQDMADHYJQPF-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.30
Rot. Bonds

About 5-methyl-6,8-dioxabicyclo[3.2.1]octane

5-methyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 13296222) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-methyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-methyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID13296222
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-methyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC12CCCC(CO1)O2
InChIInChI=1S/C7H12O2/c1-7-4-2-3-6(9-7)5-8-7/h6H,2-5H2,1H3
InChIKeyIHCQDMADHYJQPF-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 71445982
(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 12644663
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
(1S,5R,7R)-5-methyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 14909882
(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 10976171
1-chloro-9-oxabicyclo[3.3.1]nonane
CID 5324855
ethyl 2-[(1S,6S)-7,9-dioxabicyclo[4.2.1]nonan-6-yl]acetate
CID 14445035
(2R,3S)-3-[(E)-6-[(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-5-yl]-3-methylhex-3-enyl]oxirane-2-carbaldehyde
CID 11437451
1-methyl-7,8,9-trioxabicyclo[4.2.1]nonane
CID 12820287
(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
CID 102275589

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 5-methyl-6,8-dioxabicyclo[3.2.1]octane (CID 13296222) is 5-methyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 5-methyl-6,8-dioxabicyclo[3.2.1]octane is CC12CCCC(CO1)O2.
What is the InChIKey of 5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is IHCQDMADHYJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7-4-2-3-6(9-7)5-8-7/h6H,2-5H2,1H3.
What are the key properties of 5-methyl-6,8-dioxabicyclo[3.2.1]octane?
5-methyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 128.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 13296222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).