(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane

C8H14O2 — CID 163539007

IUPAC(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane
SMILESCC1C2OC[C@]1(C)O[C@@H]2C
InChIInChI=1S/C8H14O2/c1-5-7-6(2)10-8(5,3)4-9-7/h5-7H,4H2,1-3H3/t5?,6-,7?,8+/m1/s1
InChIKeyDZLIEYDQEUTJHL-ZPFXWGDGSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds

About (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane

(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane (PubChem CID 163539007) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane
PubChem CID163539007
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane
SMILESCC1C2OC[C@]1(C)O[C@@H]2C
InChIInChI=1S/C8H14O2/c1-5-7-6(2)10-8(5,3)4-9-7/h5-7H,4H2,1-3H3/t5?,6-,7?,8+/m1/s1
InChIKeyDZLIEYDQEUTJHL-ZPFXWGDGSA-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

[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane
CID 157113257
(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane
CID 89076380
[(1S,3S,4R)-7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 90132874
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
6-iodo-2,2,5-trimethyl-1,4-dioxane
CID 174262988
(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
CID 59687274
(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 139076165
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
(1S,3S,4S,7S)-3-methyl-7-propan-2-yloxy-1-[(1R)-1-propan-2-yloxyethyl]-2,5-dioxabicyclo[2.2.1]heptane
CID 59380796
(1R,3S,4R,7S)-1-(1-deuterioethyl)-3-ethyl-7-methyl-2,5-dioxabicyclo[2.2.1]heptane
CID 58049033
(1S,3S,4R)-3-methyl-7-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxymethyl]-2,5-dioxabicyclo[2.2.1]heptane
CID 174078821
(3aR,4R,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59042827

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane?
The IUPAC name of (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane (CID 163539007) is (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane is CC1C2OC[C@]1(C)O[C@@H]2C.
What is the InChIKey of (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane?
The InChIKey is DZLIEYDQEUTJHL-ZPFXWGDGSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-7-6(2)10-8(5,3)4-9-7/h5-7H,4H2,1-3H3/t5?,6-,7?,8+/m1/s1.
What are the key properties of (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane?
(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane 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 (1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane is sourced from PubChem (CID 163539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).