ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane

C12H22O2 — CID 177226765

IUPACethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
SMILESCC.CC1OC2C3CCC(CC3)C2O1
InChIInChI=1S/C10H16O2.C2H6/c1-6-11-9-7-2-3-8(5-4-7)10(9)12-6;1-2/h6-10H,2-5H2,1H3;1-2H3
InChIKeyCXRQHHYZQUYEBU-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.96
Rot. Bonds

About ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane

ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane (PubChem CID 177226765) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane.

Molecular Properties

Compound Nameethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
PubChem CID177226765
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
SMILESCC.CC1OC2C3CCC(CC3)C2O1
InChIInChI=1S/C10H16O2.C2H6/c1-6-11-9-7-2-3-8(5-4-7)10(9)12-6;1-2/h6-10H,2-5H2,1H3;1-2H3
InChIKeyCXRQHHYZQUYEBU-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
CID 98043746
6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
CID 167079205
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
dibromomethane;2,4,6-trimethyl-1,3,5-trioxane
CID 139147591
2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
CID 85404965
(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 163594028
2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
4-methyl-3-oxatricyclo[5.2.1.02,6]decane
CID 58944167
3-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 19973707
3-methyl-2-oxabicyclo[4.1.0]heptane
CID 145003683
ethane;methylcyclopropane
CID 158329065
(2S)-2,5-dimethyloxolane
CID 118613003

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane?
The IUPAC name of ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane (CID 177226765) is ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane.
What is the SMILES notation for ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane?
The canonical SMILES for ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane is CC.CC1OC2C3CCC(CC3)C2O1.
What is the InChIKey of ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane?
The InChIKey is CXRQHHYZQUYEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6/c1-6-11-9-7-2-3-8(5-4-7)10(9)12-6;1-2/h6-10H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane?
ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane has a molecular weight of 198.31 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 177226765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).