(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane

C11H12O2 — CID 101092394

IUPAC(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
SMILESc1ccc([C@@H]2O[C@@H]3CCO[C@H]32)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)10-11-9(13-10)6-7-12-11/h1-5,9-11H,6-7H2/t9-,10+,11-/m1/s1
InChIKeyPAAWOMSOXYYIPD-OUAUKWLOSA-N
MW176.22 g/mol
LogP1.92
Rot. Bonds1

About (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane

(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane (PubChem CID 101092394) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
PubChem CID101092394
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
SMILESc1ccc([C@@H]2O[C@@H]3CCO[C@H]32)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)10-11-9(13-10)6-7-12-11/h1-5,9-11H,6-7H2/t9-,10+,11-/m1/s1
InChIKeyPAAWOMSOXYYIPD-OUAUKWLOSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,7R)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092393
(7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101141161
2-(oxiran-2-yl)-3-phenyloxirane
CID 87255492
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
CID 12910404
2-[(3-phenyloxiran-2-yl)methyl]oxetane
CID 175051190
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,4aR,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 143765691
(Z)-2-hydroxy-2-[(2S,3R)-3-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]oxiran-2-yl]ethenediazonium
CID 135877972
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
3-bromo-4-methyl-2-phenyloxane
CID 154134533

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane (CID 101092394) is (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane is c1ccc([C@@H]2O[C@@H]3CCO[C@H]32)cc1.
What is the InChIKey of (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane?
The InChIKey is PAAWOMSOXYYIPD-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-8(5-3-1)10-11-9(13-10)6-7-12-11/h1-5,9-11H,6-7H2/t9-,10+,11-/m1/s1.
What are the key properties of (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane?
(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane has a molecular weight of 176.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane is sourced from PubChem (CID 101092394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).