(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane

C25H22O2 — CID 71725840

IUPAC(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC(=C1\O[C@@]2(c3ccccc3)CCC[C@]1(c1ccccc1)O2)\c1ccccc1
InChIInChI=1S/C25H22O2/c1-4-11-20(12-5-1)19-23-24(21-13-6-2-7-14-21)17-10-18-25(26-23,27-24)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19-/t24-,25+/m1/s1
InChIKeyWXZMZIZICBMIEM-OLKDFDANSA-N
MW354.45 g/mol
LogP6.01
Rot. Bonds3

About (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane

(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 71725840) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID71725840
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC(=C1\O[C@@]2(c3ccccc3)CCC[C@]1(c1ccccc1)O2)\c1ccccc1
InChIInChI=1S/C25H22O2/c1-4-11-20(12-5-1)19-23-24(21-13-6-2-7-14-21)17-10-18-25(26-23,27-24)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19-/t24-,25+/m1/s1
InChIKeyWXZMZIZICBMIEM-OLKDFDANSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-diphenyloxan-2-one
CID 14144368
(1R,3R,5S)-7-methylidene-1,3,5-triphenyl-6,8-dioxabicyclo[3.2.1]octane
CID 71725837
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
2,2-diphenylcyclohexane-1,1,3,3-tetramine
CID 175036223
(3Z,4E)-3,4-dibenzylidene-1-oxaspiro[4.5]decane
CID 134982477
(2E)-2-benzylidene-1,3-oxazolidine
CID 102070685
5,5-diphenyl-1,2-oxazolidine
CID 10823076
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
(1-phenylcyclopentyl)phosphane
CID 156579190
2-(2-chlorophenyl)-2-phenyloxolane
CID 23016058

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane (CID 71725840) is (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane is C(=C1\O[C@@]2(c3ccccc3)CCC[C@]1(c1ccccc1)O2)\c1ccccc1.
What is the InChIKey of (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is WXZMZIZICBMIEM-OLKDFDANSA-N. The full InChI is InChI=1S/C25H22O2/c1-4-11-20(12-5-1)19-23-24(21-13-6-2-7-14-21)17-10-18-25(26-23,27-24)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19-/t24-,25+/m1/s1.
What are the key properties of (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane?
(1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 354.45 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7Z)-7-benzylidene-1,5-diphenyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 71725840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).