(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one

C20H18O3 — CID 98509801

IUPAC(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one
SMILESO=C1OO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3/c21-19-17-15-11-12-16(18(17)22-23-19)20(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m0/s1
InChIKeyGBVPUFCBQNKZNW-WNRNVDISSA-N
MW306.36 g/mol
LogP3.49
Rot. Bonds2

About (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one

(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one (PubChem CID 98509801) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one.

Molecular Properties

Compound Name(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one
PubChem CID98509801
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one
SMILESO=C1OO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3/c21-19-17-15-11-12-16(18(17)22-23-19)20(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m0/s1
InChIKeyGBVPUFCBQNKZNW-WNRNVDISSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one with MolForge

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Related Compounds

(1S,2R,6R,7S)-10,10-diphenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98509814
(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
CID 177493569
(1S,2S,6S,7S)-1,7-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98116514
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
3-butyl-4-methyl-3-phenyloxan-2-one
CID 70111005
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
(3R,3aR,3bR,11aS,11bS)-3-methyl-3-phenyl-3a,3b,4,5,6,7,8,9,10,11,11a,11b-dodecahydrophenanthro[9,10-c]furan-1-one
CID 1378996
(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
CID 124909462
(1S,2R,5S,6S,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
CID 98554631
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one?
The IUPAC name of (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one (CID 98509801) is (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one.
What is the SMILES notation for (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one?
The canonical SMILES for (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one is O=C1OO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one?
The InChIKey is GBVPUFCBQNKZNW-WNRNVDISSA-N. The full InChI is InChI=1S/C20H18O3/c21-19-17-15-11-12-16(18(17)22-23-19)20(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m0/s1.
What are the key properties of (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one?
(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one has a molecular weight of 306.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one is sourced from PubChem (CID 98509801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).