(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

C21H18O4 — CID 177450282

IUPAC(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESc1ccc([C@]23O[C@H]4O[C@H]5O[C@](c6ccccc6)(O2)C2C5CC4C23)cc1
InChIInChI=1S/C21H18O4/c1-3-7-12(8-4-1)20-16-14-11-15-17(16)21(25-20,13-9-5-2-6-10-13)24-19(15)22-18(14)23-20/h1-10,14-19H,11H2/t14?,15?,16?,17?,18-,19+,20+,21-
InChIKeyLRMYBPYJIYTHFM-VQKZFFILSA-N
MW334.37 g/mol
LogP3.33
Rot. Bonds2

About (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (PubChem CID 177450282) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.

Molecular Properties

Compound Name(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
PubChem CID177450282
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESc1ccc([C@]23O[C@H]4O[C@H]5O[C@](c6ccccc6)(O2)C2C5CC4C23)cc1
InChIInChI=1S/C21H18O4/c1-3-7-12(8-4-1)20-16-14-11-15-17(16)21(25-20,13-9-5-2-6-10-13)24-19(15)22-18(14)23-20/h1-10,14-19H,11H2/t14?,15?,16?,17?,18-,19+,20+,21-
InChIKeyLRMYBPYJIYTHFM-VQKZFFILSA-N
XLogP3.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The IUPAC name of (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (CID 177450282) is (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.
What is the SMILES notation for (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The canonical SMILES for (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is c1ccc([C@]23O[C@H]4O[C@H]5O[C@](c6ccccc6)(O2)C2C5CC4C23)cc1.
What is the InChIKey of (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The InChIKey is LRMYBPYJIYTHFM-VQKZFFILSA-N. The full InChI is InChI=1S/C21H18O4/c1-3-7-12(8-4-1)20-16-14-11-15-17(16)21(25-20,13-9-5-2-6-10-13)24-19(15)22-18(14)23-20/h1-10,14-19H,11H2/t14?,15?,16?,17?,18-,19+,20+,21-.
What are the key properties of (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
(1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane has a molecular weight of 334.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,9S,11S)-1,11-diphenyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is sourced from PubChem (CID 177450282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).