(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one

C16H20O5 — CID 44519708

IUPAC(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one
SMILESC[C@H]1O[C@@]2(C)[C@@H](OCc3ccccc3)[C@]1(C)OC(=O)[C@@H]2O
InChIInChI=1S/C16H20O5/c1-10-15(2)14(19-9-11-7-5-4-6-8-11)16(3,20-10)12(17)13(18)21-15/h4-8,10,12,14,17H,9H2,1-3H3/t10-,12+,14+,15-,16-/m1/s1
InChIKeyHEHIAGBERCDLIR-YXLJTMCISA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds3

About (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one

(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one (PubChem CID 44519708) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one
PubChem CID44519708
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one
SMILESC[C@H]1O[C@@]2(C)[C@@H](OCc3ccccc3)[C@]1(C)OC(=O)[C@@H]2O
InChIInChI=1S/C16H20O5/c1-10-15(2)14(19-9-11-7-5-4-6-8-11)16(3,20-10)12(17)13(18)21-15/h4-8,10,12,14,17H,9H2,1-3H3/t10-,12+,14+,15-,16-/m1/s1
InChIKeyHEHIAGBERCDLIR-YXLJTMCISA-N
XLogP1.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857
[(3S,6S,7S,8S,9S)-6,9-dimethyl-2-oxo-7,8-bis(phenylmethoxy)-1,5-dioxonan-3-yl]azanium
CID 140620673
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
CID 139605652
(3R,4R,5R)-3,5-dimethyl-4-phenylmethoxyoxan-2-one
CID 158721610
(3aS,4S,5S,6R,7S,7aR)-2,2,5-trimethyl-6,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 14375665
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
CID 155013546
(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol
CID 10540244
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one (CID 44519708) is (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one is C[C@H]1O[C@@]2(C)[C@@H](OCc3ccccc3)[C@]1(C)OC(=O)[C@@H]2O.
What is the InChIKey of (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one?
The InChIKey is HEHIAGBERCDLIR-YXLJTMCISA-N. The full InChI is InChI=1S/C16H20O5/c1-10-15(2)14(19-9-11-7-5-4-6-8-11)16(3,20-10)12(17)13(18)21-15/h4-8,10,12,14,17H,9H2,1-3H3/t10-,12+,14+,15-,16-/m1/s1.
What are the key properties of (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one?
(1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one has a molecular weight of 292.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7R,8R)-4-hydroxy-1,5,7-trimethyl-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 44519708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).