(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

C28H28O4 — CID 132576023

IUPAC(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O4/c1-4-25-26(32-27(2,3)31-25)24(29)20-30-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h1,5-19,24-26,29H,20H2,2-3H3/t24-,25-,26-/m1/s1
InChIKeyORNDAPWDKWQFLY-TWJOJJKGSA-N
MW428.53 g/mol
LogP4.51
Rot. Bonds7

About (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (PubChem CID 132576023) has the molecular formula C28H28O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
PubChem CID132576023
Molecular FormulaC28H28O4
Molecular Weight428.53 g/mol
Exact Mass428.20
IUPAC Name(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O4/c1-4-25-26(32-27(2,3)31-25)24(29)20-30-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h1,5-19,24-26,29H,20H2,2-3H3/t24-,25-,26-/m1/s1
InChIKeyORNDAPWDKWQFLY-TWJOJJKGSA-N
XLogP4.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[(4R,5S)-5-(2,2-diiodoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 90414139
(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 140502477
(3aS,6R,6aS)-6-[(1S)-1-hydroxy-2-trityloxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10837656
(1R)-1-[(4S,5R)-2,2-dimethyl-5-[(E)-tridec-1-enyl]-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 56954451
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 135009925
(1R)-1-[(4R,5S)-5-[(Z)-2-chloro-2-(6-chloropyrimidin-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 134931381
(2R,3R,4R,5S)-1-trityloxyhept-6-yne-2,3,4,5-tetrol
CID 101221967
(3aR,5R,6S,6aR)-5-[(1S)-1-azido-2-trityloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10994557
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
1-[(4S,5R)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanone
CID 23242978
[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
CID 12026980
[(3aR,5R,6S,6aR)-5-(1-acetyloxy-2-trityloxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 22696391

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The IUPAC name of (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (CID 132576023) is (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is C#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The InChIKey is ORNDAPWDKWQFLY-TWJOJJKGSA-N. The full InChI is InChI=1S/C28H28O4/c1-4-25-26(32-27(2,3)31-25)24(29)20-30-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h1,5-19,24-26,29H,20H2,2-3H3/t24-,25-,26-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol has a molecular weight of 428.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is sourced from PubChem (CID 132576023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).