(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 12644663

IUPAC(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@H]1O[C@]2(C)CCC[C@H]1O2
InChIInChI=1S/C8H14O2/c1-6-7-4-3-5-8(2,9-6)10-7/h6-7H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyLYVSKAUJEKUBNH-PRJMDXOYSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds

About (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane

(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 12644663) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID12644663
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@H]1O[C@]2(C)CCC[C@H]1O2
InChIInChI=1S/C8H14O2/c1-6-7-4-3-5-8(2,9-6)10-7/h6-7H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyLYVSKAUJEKUBNH-PRJMDXOYSA-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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Related Compounds

(1S,5R,7R)-5-methyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 14909882
5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 13296222
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 10877125
(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 58590242
(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 10976171
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
2,2-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
CID 59582664
1-methyl-7,8,9-trioxabicyclo[4.2.1]nonane
CID 12820287
(1,2-dimethylcyclopentyl)-trimethylsilane
CID 175194717
3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane
CID 167699446
(1R,3R,4S,5S)-3-ethyl-1-methyl-2,8-dioxabicyclo[3.2.1]octan-4-ol
CID 130756819

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane (CID 12644663) is (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane is C[C@H]1O[C@]2(C)CCC[C@H]1O2.
What is the InChIKey of (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is LYVSKAUJEKUBNH-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-7-4-3-5-8(2,9-6)10-7/h6-7H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
(1R,5S,7R)-5,7-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 (1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 12644663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).