(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one

C14H14O3 — CID 102330634

IUPAC(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one
SMILESC[C@]12C3C(=O)O[C@H]1OC[C@H]2[C@@H]3c1ccccc1
InChIInChI=1S/C14H14O3/c1-14-9-7-16-13(14)17-12(15)11(14)10(9)8-5-3-2-4-6-8/h2-6,9-11,13H,7H2,1H3/t9-,10-,11?,13+,14-/m0/s1
InChIKeyUEELMCRECUTCOT-GWNSKXJYSA-N
MW230.26 g/mol
LogP1.94
Rot. Bonds1

About (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one

(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one (PubChem CID 102330634) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one.

Molecular Properties

Compound Name(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one
PubChem CID102330634
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one
SMILESC[C@]12C3C(=O)O[C@H]1OC[C@H]2[C@@H]3c1ccccc1
InChIInChI=1S/C14H14O3/c1-14-9-7-16-13(14)17-12(15)11(14)10(9)8-5-3-2-4-6-8/h2-6,9-11,13H,7H2,1H3/t9-,10-,11?,13+,14-/m0/s1
InChIKeyUEELMCRECUTCOT-GWNSKXJYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one with MolForge

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Related Compounds

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CID 10625076
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
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1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
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(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 11492874
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
(1S,5R,6S,8S)-5,6-diphenyl-2-oxatricyclo[5.2.1.04,8]decan-3-one
CID 102064529
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
ethane;2-phenyloxirane
CID 54171856

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one?
The IUPAC name of (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one (CID 102330634) is (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one.
What is the SMILES notation for (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one?
The canonical SMILES for (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one is C[C@]12C3C(=O)O[C@H]1OC[C@H]2[C@@H]3c1ccccc1.
What is the InChIKey of (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one?
The InChIKey is UEELMCRECUTCOT-GWNSKXJYSA-N. The full InChI is InChI=1S/C14H14O3/c1-14-9-7-16-13(14)17-12(15)11(14)10(9)8-5-3-2-4-6-8/h2-6,9-11,13H,7H2,1H3/t9-,10-,11?,13+,14-/m0/s1.
What are the key properties of (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one?
(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one has a molecular weight of 230.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one is sourced from PubChem (CID 102330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).