(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane

C14H22O2 — CID 11775740

IUPAC(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@@H](C)OC([C@H]2C[C@@H]3C=C[C@H]2CC3)O1
InChIInChI=1S/C14H22O2/c1-9-7-10(2)16-14(15-9)13-8-11-3-5-12(13)6-4-11/h3,5,9-14H,4,6-8H2,1-2H3/t9-,10-,11-,12+,13+/m1/s1
InChIKeyRXXGXLWYFUOETI-KVSVUVNWSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds1

About (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane

(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane (PubChem CID 11775740) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane
PubChem CID11775740
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@@H](C)OC([C@H]2C[C@@H]3C=C[C@H]2CC3)O1
InChIInChI=1S/C14H22O2/c1-9-7-10(2)16-14(15-9)13-8-11-3-5-12(13)6-4-11/h3,5,9-14H,4,6-8H2,1-2H3/t9-,10-,11-,12+,13+/m1/s1
InChIKeyRXXGXLWYFUOETI-KVSVUVNWSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(1S,2S,4R)-bicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 98571382
5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
CID 59956778
(4S)-7-methylbicyclo[2.2.1]hept-2-ene
CID 143323028
5-ethynylbicyclo[2.2.2]oct-2-ene
CID 12662373
[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]methanol
CID 11863585
pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene
CID 141044918
(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
CID 98152417
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane?
The IUPAC name of (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane (CID 11775740) is (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane is C[C@@H]1C[C@@H](C)OC([C@H]2C[C@@H]3C=C[C@H]2CC3)O1.
What is the InChIKey of (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane?
The InChIKey is RXXGXLWYFUOETI-KVSVUVNWSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-7-10(2)16-14(15-9)13-8-11-3-5-12(13)6-4-11/h3,5,9-14H,4,6-8H2,1-2H3/t9-,10-,11-,12+,13+/m1/s1.
What are the key properties of (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane?
(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane has a molecular weight of 222.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 11775740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).