(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane

C19H26O3 — CID 88986088

IUPAC(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
SMILESC=C1C[C@H](C[C@@H]2CCO[C@H](c3ccccc3)O2)O[C@@H](CC)C1
InChIInChI=1S/C19H26O3/c1-3-16-11-14(2)12-18(21-16)13-17-9-10-20-19(22-17)15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-13H2,1H3/t16-,17-,18+,19-/m0/s1
InChIKeyXDKNUFKTAZRWJV-OKYOBFRVSA-N
MW302.41 g/mol
LogP4.39
Rot. Bonds4

About (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane

(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane (PubChem CID 88986088) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
PubChem CID88986088
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
SMILESC=C1C[C@H](C[C@@H]2CCO[C@H](c3ccccc3)O2)O[C@@H](CC)C1
InChIInChI=1S/C19H26O3/c1-3-16-11-14(2)12-18(21-16)13-17-9-10-20-19(22-17)15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-13H2,1H3/t16-,17-,18+,19-/m0/s1
InChIKeyXDKNUFKTAZRWJV-OKYOBFRVSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane with MolForge

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Related Compounds

N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035
2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 53306707
2-[(2R,4S)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 71456971
4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147
4-(2-phenyl-1,3-dioxan-4-yl)butan-2-one
CID 134360383
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
CID 53421244
ethyl 3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propanoate
CID 53306704
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
CID 53421243
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
CID 23041443
2-ethyl-5-phenyl-1,4-oxazepane
CID 83218632

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane?
The IUPAC name of (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane (CID 88986088) is (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane.
What is the SMILES notation for (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane?
The canonical SMILES for (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane is C=C1C[C@H](C[C@@H]2CCO[C@H](c3ccccc3)O2)O[C@@H](CC)C1.
What is the InChIKey of (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane?
The InChIKey is XDKNUFKTAZRWJV-OKYOBFRVSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-16-11-14(2)12-18(21-16)13-17-9-10-20-19(22-17)15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-13H2,1H3/t16-,17-,18+,19-/m0/s1.
What are the key properties of (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane?
(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane has a molecular weight of 302.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane is sourced from PubChem (CID 88986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).