(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one

C16H18O3 — CID 11097242

IUPAC(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one
SMILESO=C1C[C@H]2CCCC[C@@]23O[C@@H]1[C@H](c1ccccc1)O3
InChIInChI=1S/C16H18O3/c17-13-10-12-8-4-5-9-16(12)18-14(15(13)19-16)11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,14+,15+,16-/m1/s1
InChIKeyHRDIIWAHHIGZPJ-SYAUCNOPSA-N
MW258.32 g/mol
LogP3.00
Rot. Bonds1

About (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one

(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one (PubChem CID 11097242) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one.

Molecular Properties

Compound Name(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one
PubChem CID11097242
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one
SMILESO=C1C[C@H]2CCCC[C@@]23O[C@@H]1[C@H](c1ccccc1)O3
InChIInChI=1S/C16H18O3/c17-13-10-12-8-4-5-9-16(12)18-14(15(13)19-16)11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,14+,15+,16-/m1/s1
InChIKeyHRDIIWAHHIGZPJ-SYAUCNOPSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one with MolForge

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Related Compounds

(1S,9R,10R)-10-[(4-fluorophenyl)methoxymethyl]-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11313933
(1R,5S,7S)-5-phenyl-7-[4-(trifluoromethyl)phenyl]-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 102277256
(2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one
CID 10940064
(1S,5S,7S)-2',4'-ditert-butyl-5-phenylspiro[6,8-dioxabicyclo[3.2.1]octane-7,6'-cyclohexa-2,4-diene]-1',2-dione
CID 11090520
(1S,9R,10S)-1-methoxy-10-(phenylmethoxymethyl)-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11347954
(1S,3R,4S,5S)-1-methyl-4-phenylmethoxy-3,5-bis(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-one
CID 11386254
1-Methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190784
(1S,9R,10R)-1-methoxy-10-phenyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13479088
(1S,9R,10R)-10-tert-butyl-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13479097
(1R,5R,7S)-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 14064125
1-[(4S,5S)-2,2-dimethyl-5-[(S)-phenyl(phenylmethoxy)methyl]-1,3-dioxolan-4-yl]-4-(oxan-2-yloxy)butan-1-one
CID 46196843
(1S,9S,11R)-9-ethoxy-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-trien-12-one
CID 101555633

Frequently Asked Questions

What is the IUPAC name of (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one?
The IUPAC name of (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one (CID 11097242) is (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one.
What is the SMILES notation for (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one?
The canonical SMILES for (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one is O=C1C[C@H]2CCCC[C@@]23O[C@@H]1[C@H](c1ccccc1)O3.
What is the InChIKey of (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one?
The InChIKey is HRDIIWAHHIGZPJ-SYAUCNOPSA-N. The full InChI is InChI=1S/C16H18O3/c17-13-10-12-8-4-5-9-16(12)18-14(15(13)19-16)11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,14+,15+,16-/m1/s1.
What are the key properties of (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one?
(1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one has a molecular weight of 258.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,9R,10S)-10-phenyl-11,12-dioxatricyclo[7.2.1.01,6]dodecan-8-one is sourced from PubChem (CID 11097242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).