1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane

C15H28O2 — CID 118216745

IUPAC1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane
SMILESCOC(C)(C)C12CC(C(C)O1)C(C)(C)C2(C)C
InChIInChI=1S/C15H28O2/c1-10-11-9-15(17-10,14(6,7)16-8)13(4,5)12(11,2)3/h10-11H,9H2,1-8H3
InChIKeyVDHDTVJAQAFCSV-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds2

About 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane

1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane (PubChem CID 118216745) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane
PubChem CID118216745
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane
SMILESCOC(C)(C)C12CC(C(C)O1)C(C)(C)C2(C)C
InChIInChI=1S/C15H28O2/c1-10-11-9-15(17-10,14(6,7)16-8)13(4,5)12(11,2)3/h10-11H,9H2,1-8H3
InChIKeyVDHDTVJAQAFCSV-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane with MolForge

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Related Compounds

Cyclonerodiol oxide
CID 54753974
(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 14336612
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999
Isocyclonerodiol Oxide
CID 170989464
Epicyclonerodiol oxide
CID 14336611
(1r,3r,4s)-2-((3,4-Epoxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143258
(1s,3s,5r)-3-(2-Methoxyethyl)-1,4,4-trimethyl-6-oxa-bicyclo[3.1.0]hexan
CID 15348630
(1r,3s,5r)-3-(2-Methoxyethyl)-1,4,4-trimethyl-6-oxa-bicyclo[3.1.0]hexan
CID 129709166
(1R,3S,5S)-3-(2-methoxyethyl)-1,4,4-trimethyl-6-oxabicyclo[3.1.0]hexane
CID 15348629
1,7,7-Trimethyl-2-oxabicyclo[2.2.1]heptane
CID 54007383
(1R,3S,7R)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxabicyclo[2.2.1]heptane
CID 57827103
3,5-Dimethyl-1-(2-methylpropyl)-7-propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 58260125

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane (CID 118216745) is 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane is COC(C)(C)C12CC(C(C)O1)C(C)(C)C2(C)C.
What is the InChIKey of 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane?
The InChIKey is VDHDTVJAQAFCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10-11-9-15(17-10,14(6,7)16-8)13(4,5)12(11,2)3/h10-11H,9H2,1-8H3.
What are the key properties of 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane?
1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yl)-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 118216745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).