(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol

C16H22O2 — CID 130359473

IUPAC(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
SMILESC[C@@H]1[C@H](O)[C@H](C)[C@H](/C=C/c2ccccc2)O[C@@H]1C
InChIInChI=1S/C16H22O2/c1-11-13(3)18-15(12(2)16(11)17)10-9-14-7-5-4-6-8-14/h4-13,15-17H,1-3H3/b10-9+/t11-,12+,13+,15-,16-/m0/s1
InChIKeyCGDAFTBFYQNRPC-GBRHKHIESA-N
MW246.35 g/mol
LogP3.12
Rot. Bonds2

About (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol

(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol (PubChem CID 130359473) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
PubChem CID130359473
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
SMILESC[C@@H]1[C@H](O)[C@H](C)[C@H](/C=C/c2ccccc2)O[C@@H]1C
InChIInChI=1S/C16H22O2/c1-11-13(3)18-15(12(2)16(11)17)10-9-14-7-5-4-6-8-14/h4-13,15-17H,1-3H3/b10-9+/t11-,12+,13+,15-,16-/m0/s1
InChIKeyCGDAFTBFYQNRPC-GBRHKHIESA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol with MolForge

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Related Compounds

(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
(1R,3S,4R,5R,7R)-7-ethynyl-4-methyl-3-[(E)-2-phenylethenyl]-2,6-dioxabicyclo[3.2.1]octane
CID 102338797
(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
CID 134876536
(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
methyl (2S,4R,5S,6R)-6-[(E)-2-(benzenesulfonyl)ethenyl]-4-hydroxy-3,5-dimethyloxane-2-carboxylate
CID 130360844
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
CID 11349970
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(2,3,5-trihydroxy-6-methyloxan-4-yl) 3-phenylprop-2-enoate
CID 162871420
2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
CID 134967979
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 93475595

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol?
The IUPAC name of (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol (CID 130359473) is (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol is C[C@@H]1[C@H](O)[C@H](C)[C@H](/C=C/c2ccccc2)O[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol?
The InChIKey is CGDAFTBFYQNRPC-GBRHKHIESA-N. The full InChI is InChI=1S/C16H22O2/c1-11-13(3)18-15(12(2)16(11)17)10-9-14-7-5-4-6-8-14/h4-13,15-17H,1-3H3/b10-9+/t11-,12+,13+,15-,16-/m0/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol?
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol has a molecular weight of 246.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol is sourced from PubChem (CID 130359473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).