(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol

C26H46O5Si — CID 11317286

IUPAC(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol
SMILESCOc1ccc([C@H]2OCC[C@@H]([C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO)O2)cc1
InChIInChI=1S/C26H46O5Si/c1-17(2)32(18(3)4,19(5)6)31-25(20(7)16-27)21(8)24-14-15-29-26(30-24)22-10-12-23(28-9)13-11-22/h10-13,17-21,24-27H,14-16H2,1-9H3/t20-,21+,24+,25-,26+/m1/s1
InChIKeyKKGJYKJCEBWOGD-WYMBGIKYSA-N
MW466.74 g/mol
LogP6.32
Rot. Bonds11

About (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol

(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol (PubChem CID 11317286) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol
PubChem CID11317286
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol
SMILESCOc1ccc([C@H]2OCC[C@@H]([C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO)O2)cc1
InChIInChI=1S/C26H46O5Si/c1-17(2)32(18(3)4,19(5)6)31-25(20(7)16-27)21(8)24-14-15-29-26(30-24)22-10-12-23(28-9)13-11-22/h10-13,17-21,24-27H,14-16H2,1-9H3/t20-,21+,24+,25-,26+/m1/s1
InChIKeyKKGJYKJCEBWOGD-WYMBGIKYSA-N
XLogP6.32
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol?
The IUPAC name of (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol (CID 11317286) is (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol.
What is the SMILES notation for (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol?
The canonical SMILES for (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol is COc1ccc([C@H]2OCC[C@@H]([C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO)O2)cc1.
What is the InChIKey of (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol?
The InChIKey is KKGJYKJCEBWOGD-WYMBGIKYSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-17(2)32(18(3)4,19(5)6)31-25(20(7)16-27)21(8)24-14-15-29-26(30-24)22-10-12-23(28-9)13-11-22/h10-13,17-21,24-27H,14-16H2,1-9H3/t20-,21+,24+,25-,26+/m1/s1.
What are the key properties of (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol?
(2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol has a molecular weight of 466.74 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-methyl-3-tri(propan-2-yl)silyloxypentan-1-ol is sourced from PubChem (CID 11317286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).