(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane

C13H16O2 — CID 93475595

IUPAC(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESC[C@H]1CCO[C@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C13H16O2/c1-11-9-10-14-13(15-11)8-7-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11-,13-/m0/s1
InChIKeyLSEPTNAIKXLPFK-DDOQPMFUSA-N
MW204.27 g/mol
LogP2.85
Rot. Bonds2

About (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane

(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane (PubChem CID 93475595) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
PubChem CID93475595
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESC[C@H]1CCO[C@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C13H16O2/c1-11-9-10-14-13(15-11)8-7-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11-,13-/m0/s1
InChIKeyLSEPTNAIKXLPFK-DDOQPMFUSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(2R,4R)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 92532420
(2S,4S)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 93475636
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine
CID 40548294
(1S)-1-[(2R,4S)-4-methyl-1,3-dioxan-2-yl]-1-phenylethanol
CID 101153103
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586144
2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane
CID 44631270
(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
CID 85470685
3-[(E)-2-phenylethenyl]oxetane
CID 132578776

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The IUPAC name of (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane (CID 93475595) is (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane.
What is the SMILES notation for (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The canonical SMILES for (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane is C[C@H]1CCO[C@H](/C=C/c2ccccc2)O1.
What is the InChIKey of (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
The InChIKey is LSEPTNAIKXLPFK-DDOQPMFUSA-N. The full InChI is InChI=1S/C13H16O2/c1-11-9-10-14-13(15-11)8-7-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane?
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane has a molecular weight of 204.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane is sourced from PubChem (CID 93475595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).