(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene

C12H12O2 — CID 102356324

IUPAC(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
SMILESC[C@@]12C=CO[C@@H]1O[C@H]2c1ccccc1
InChIInChI=1S/C12H12O2/c1-12-7-8-13-11(12)14-10(12)9-5-3-2-4-6-9/h2-8,10-11H,1H3/t10-,11+,12-/m0/s1
InChIKeyMJMWVYAYKSCUKI-TUAOUCFPSA-N
MW188.23 g/mol
LogP2.63
Rot. Bonds1

About (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene

(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene (PubChem CID 102356324) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
PubChem CID102356324
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
SMILESC[C@@]12C=CO[C@@H]1O[C@H]2c1ccccc1
InChIInChI=1S/C12H12O2/c1-12-7-8-13-11(12)14-10(12)9-5-3-2-4-6-9/h2-8,10-11H,1H3/t10-,11+,12-/m0/s1
InChIKeyMJMWVYAYKSCUKI-TUAOUCFPSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene?
The IUPAC name of (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene (CID 102356324) is (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene is C[C@@]12C=CO[C@@H]1O[C@H]2c1ccccc1.
What is the InChIKey of (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene?
The InChIKey is MJMWVYAYKSCUKI-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H12O2/c1-12-7-8-13-11(12)14-10(12)9-5-3-2-4-6-9/h2-8,10-11H,1H3/t10-,11+,12-/m0/s1.
What are the key properties of (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene?
(1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene has a molecular weight of 188.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-5-methyl-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 102356324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).