3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane

C20H32O2 — CID 159582488

IUPAC3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3)C2O1.CC1OCC2C3CCC(C3)C12
InChIInChI=1S/2C10H16O/c1-6-10-8-3-2-7(4-8)9(10)5-11-6;1-6-4-9-7-2-3-8(5-7)10(9)11-6/h2*6-10H,2-5H2,1H3
InChIKeyMJEUNQTYLCUXCZ-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.28
Rot. Bonds

About 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane

3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 159582488) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID159582488
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3)C2O1.CC1OCC2C3CCC(C3)C12
InChIInChI=1S/2C10H16O/c1-6-10-8-3-2-7(4-8)9(10)5-11-6;1-6-4-9-7-2-3-8(5-7)10(9)11-6/h2*6-10H,2-5H2,1H3
InChIKeyMJEUNQTYLCUXCZ-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

4-methyl-3-oxatricyclo[5.2.1.02,6]decane
CID 58944167
(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
CID 22726578
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
11-methyl-5,12-dioxahexacyclo[7.5.1.13,7.02,8.04,6.010,14]hexadecane
CID 123539864
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane
CID 130224432
(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
CID 98043746
3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
CID 123954417
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane
CID 59104586
(4S,6R)-5-oxaheptacyclo[7.6.1.13,7.111,14.02,8.04,6.010,15]octadecane
CID 59904064
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane (CID 159582488) is 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane is CC1CC2C3CCC(C3)C2O1.CC1OCC2C3CCC(C3)C12.
What is the InChIKey of 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is MJEUNQTYLCUXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16O/c1-6-10-8-3-2-7(4-8)9(10)5-11-6;1-6-4-9-7-2-3-8(5-7)10(9)11-6/h2*6-10H,2-5H2,1H3.
What are the key properties of 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 304.47 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 159582488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).