(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane

C19H28O5 — CID 11186734

IUPAC(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane
SMILESC=CC[C@@]1(c2ccccc2)O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C19H28O5/c1-6-12-19(14-10-8-7-9-11-14)18(23-5)17(22-4)16(21-3)15(24-19)13-20-2/h6-11,15-18H,1,12-13H2,2-5H3/t15-,16-,17+,18-,19+/m1/s1
InChIKeyZUBPEBYJCZDGNF-FQBWVUSXSA-N
MW336.43 g/mol
LogP2.55
Rot. Bonds8

About (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane

(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane (PubChem CID 11186734) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane
PubChem CID11186734
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane
SMILESC=CC[C@@]1(c2ccccc2)O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C19H28O5/c1-6-12-19(14-10-8-7-9-11-14)18(23-5)17(22-4)16(21-3)15(24-19)13-20-2/h6-11,15-18H,1,12-13H2,2-5H3/t15-,16-,17+,18-,19+/m1/s1
InChIKeyZUBPEBYJCZDGNF-FQBWVUSXSA-N
XLogP2.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
magnesium;2-(4-chlorophenyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-olate;bromide
CID 59847105
(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
CID 11771197
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane
CID 146029712
(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(1R,2S,3S,4R,6S,9S,11R,12S,13S,14R,17S,19R,20S,21S,22R,25S,27R,28S,29S,30R)-1,2,3,12,13,14,20,21,22,28,29,30-dodecamethoxy-4,11,19,27-tetrakis(methoxymethyl)-5,7,10,15,18,23,26,31,34,37,40-undecaoxatetraspiro[5.2.59.2.517.2.525.116]hentetracontane
CID 102298713
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
CID 102188861
(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
CID 14056916
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane?
The IUPAC name of (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane (CID 11186734) is (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane is C=CC[C@@]1(c2ccccc2)O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane?
The InChIKey is ZUBPEBYJCZDGNF-FQBWVUSXSA-N. The full InChI is InChI=1S/C19H28O5/c1-6-12-19(14-10-8-7-9-11-14)18(23-5)17(22-4)16(21-3)15(24-19)13-20-2/h6-11,15-18H,1,12-13H2,2-5H3/t15-,16-,17+,18-,19+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane?
(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane has a molecular weight of 336.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane is sourced from PubChem (CID 11186734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).