(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane

C16H20O4 — CID 10564398

IUPAC(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane
SMILESc1ccc([C@@]23OOCCCOO[C@@H]2[C@H]2CC[C@@H]3C2)cc1
InChIInChI=1S/C16H20O4/c1-2-5-13(6-3-1)16-14-8-7-12(11-14)15(16)19-17-9-4-10-18-20-16/h1-3,5-6,12,14-15H,4,7-11H2/t12-,14+,15+,16-/m0/s1
InChIKeyFGNUKCUKECFEBN-XZDPQHSOSA-N
MW276.33 g/mol
LogP2.98
Rot. Bonds1

About (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane

(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane (PubChem CID 10564398) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane.

Molecular Properties

Compound Name(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane
PubChem CID10564398
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane
SMILESc1ccc([C@@]23OOCCCOO[C@@H]2[C@H]2CC[C@@H]3C2)cc1
InChIInChI=1S/C16H20O4/c1-2-5-13(6-3-1)16-14-8-7-12(11-14)15(16)19-17-9-4-10-18-20-16/h1-3,5-6,12,14-15H,4,7-11H2/t12-,14+,15+,16-/m0/s1
InChIKeyFGNUKCUKECFEBN-XZDPQHSOSA-N
XLogP2.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane with MolForge

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Related Compounds

(1R,2R,8R,9S)-5-cyclohexyl-2-phenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane
CID 10958483
(2R,6R)-1-bromo-7-phenyl-8-oxatricyclo[4.3.0.02,7]nonan-9-one
CID 124530169
1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene
CID 3757880
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
azane;3-phenyldioxane;hydrochloride
CID 174853974
(1R,2R,4R,6R,7S)-2-phenyl-3,4λ4,5-trithiatricyclo[5.2.1.02,6]decane 4-oxide
CID 139053364
4,5-dimethoxy-2-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 141194924
(2R,3R,6S,7S,9R,10R,13S,14S)-1,8-diphenyl-15-oxahexacyclo[6.6.2.13,6.110,13.02,7.09,14]octadeca-4,11-dien-16-one
CID 177416314
(1R,4S,5R)-4-cyclohexyl-5-iodo-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 72551420
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
9-cyclopentyl-9-phenylfluorene
CID 59853281

Frequently Asked Questions

What is the IUPAC name of (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane?
The IUPAC name of (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane (CID 10564398) is (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane.
What is the SMILES notation for (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane?
The canonical SMILES for (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane is c1ccc([C@@]23OOCCCOO[C@@H]2[C@H]2CC[C@@H]3C2)cc1.
What is the InChIKey of (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane?
The InChIKey is FGNUKCUKECFEBN-XZDPQHSOSA-N. The full InChI is InChI=1S/C16H20O4/c1-2-5-13(6-3-1)16-14-8-7-12(11-14)15(16)19-17-9-4-10-18-20-16/h1-3,5-6,12,14-15H,4,7-11H2/t12-,14+,15+,16-/m0/s1.
What are the key properties of (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane?
(1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane has a molecular weight of 276.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10R,11S)-2-phenyl-3,4,8,9-tetraoxatricyclo[9.2.1.02,10]tetradecane is sourced from PubChem (CID 10564398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).