(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane

C19H20O2 — CID 139192121

IUPAC(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane
SMILESc1ccc2c([C@@H]3OCC[C@]45CC[C@H](C[C@@H]34)O5)cccc2c1
InChIInChI=1S/C19H20O2/c1-2-6-15-13(4-1)5-3-7-16(15)18-17-12-14-8-9-19(17,21-14)10-11-20-18/h1-7,14,17-18H,8-12H2/t14-,17+,18+,19-/m1/s1
InChIKeyDWUIRUBJPFLNAE-GRGSLBFTSA-N
MW280.37 g/mol
LogP4.24
Rot. Bonds1

About (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane

(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane (PubChem CID 139192121) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane.

Molecular Properties

Compound Name(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane
PubChem CID139192121
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane
SMILESc1ccc2c([C@@H]3OCC[C@]45CC[C@H](C[C@@H]34)O5)cccc2c1
InChIInChI=1S/C19H20O2/c1-2-6-15-13(4-1)5-3-7-16(15)18-17-12-14-8-9-19(17,21-14)10-11-20-18/h1-7,14,17-18H,8-12H2/t14-,17+,18+,19-/m1/s1
InChIKeyDWUIRUBJPFLNAE-GRGSLBFTSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane?
The IUPAC name of (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane (CID 139192121) is (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane.
What is the SMILES notation for (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane?
The canonical SMILES for (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane is c1ccc2c([C@@H]3OCC[C@]45CC[C@H](C[C@@H]34)O5)cccc2c1.
What is the InChIKey of (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane?
The InChIKey is DWUIRUBJPFLNAE-GRGSLBFTSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-6-15-13(4-1)5-3-7-16(15)18-17-12-14-8-9-19(17,21-14)10-11-20-18/h1-7,14,17-18H,8-12H2/t14-,17+,18+,19-/m1/s1.
What are the key properties of (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane?
(1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane has a molecular weight of 280.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,8R)-5-naphthalen-1-yl-4,11-dioxatricyclo[6.2.1.01,6]undecane is sourced from PubChem (CID 139192121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).