(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one

C15H16O3 — CID 10879349

IUPAC(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one
SMILESC[C@]12CCC[C@@]13O[C@@H](C2=O)[C@H](c1ccccc1)O3
InChIInChI=1S/C15H16O3/c1-14-8-5-9-15(14)17-11(12(18-15)13(14)16)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+,14+,15+/m0/s1
InChIKeyUUXIOGSLWRMBHL-CTHBEMJXSA-N
MW244.29 g/mol
LogP2.61
Rot. Bonds1

About (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one

(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one (PubChem CID 10879349) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one.

Molecular Properties

Compound Name(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one
PubChem CID10879349
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one
SMILESC[C@]12CCC[C@@]13O[C@@H](C2=O)[C@H](c1ccccc1)O3
InChIInChI=1S/C15H16O3/c1-14-8-5-9-15(14)17-11(12(18-15)13(14)16)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+,14+,15+/m0/s1
InChIKeyUUXIOGSLWRMBHL-CTHBEMJXSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one with MolForge

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Related Compounds

(1R,5R,7S)-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 14064125
(1'R,3E,4R,5'S,7'S)-3-benzylidene-5'-methylspiro[1,2-dihydronaphthalene-4,8'-9,10-dioxatricyclo[5.2.1.01,5]decane]-6'-one
CID 139090338
(1R,6R,8R,9S)-6-methyl-9-[(E)-2-phenylethenyl]-10,11-dioxatricyclo[6.2.1.01,6]undecan-7-one
CID 11000576
(1R,6R,8R,9S)-6-methyl-9-(4-methylphenyl)-10,11-dioxatricyclo[6.2.1.01,6]undecan-7-one
CID 11043910
(1S,5R,7R)-5-methyl-1',2',3',4'-tetraphenylspiro[9,10-dioxatricyclo[5.2.1.01,5]decane-8,5'-cyclopenta-1,3-diene]-6-one
CID 11135120
(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate
CID 139984113
(3aR,6R,6aR)-2,2-dimethyl-6-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 167461501
[(1S,2S,6S,9R,10R,11R)-7-oxo-11-phenyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-10-yl] acetate
CID 10543670
(1'S,3E,5'R,7'R)-3-benzylidene-5'-methylspiro[1,2-dihydronaphthalene-4,8'-9,10-dioxatricyclo[5.2.1.01,5]decane]-6'-one
CID 11164647
(3aS,6R,7aS)-6-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-one
CID 11452510
(1S,2'E,4R,5'E)-1,6,6-trimethyl-2',5'-bis[(4-methylphenyl)methylidene]spiro[2,7-dioxabicyclo[2.2.1]heptane-3,1'-cyclopentane]-5-one
CID 16107044
(1S,6R,8R)-6-methyl-9,9-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]-10,11-dioxatricyclo[6.2.1.01,6]undecan-7-one
CID 16107053

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one?
The IUPAC name of (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one (CID 10879349) is (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one.
What is the SMILES notation for (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one?
The canonical SMILES for (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one is C[C@]12CCC[C@@]13O[C@@H](C2=O)[C@H](c1ccccc1)O3.
What is the InChIKey of (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one?
The InChIKey is UUXIOGSLWRMBHL-CTHBEMJXSA-N. The full InChI is InChI=1S/C15H16O3/c1-14-8-5-9-15(14)17-11(12(18-15)13(14)16)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+,14+,15+/m0/s1.
What are the key properties of (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one?
(1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R,8S)-5-methyl-8-phenyl-9,10-dioxatricyclo[5.2.1.01,5]decan-6-one is sourced from PubChem (CID 10879349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).