2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde

C22H42O5Si — CID 175882106

IUPAC2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
SMILESCC(C)[Si](O[C@H]1C[C@H]([C@@H]2COC(C)(C)O2)O[C@H](CC=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O5Si/c1-14(2)28(15(3)4,16(5)6)27-19-12-20(21-13-24-22(8,9)26-21)25-18(10-11-23)17(19)7/h11,14-21H,10,12-13H2,1-9H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyDASMBGOKMXKTSE-LUYSREMJSA-N
MW414.66 g/mol
LogP5.08
Rot. Bonds8

About 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde

2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde (PubChem CID 175882106) has the molecular formula C22H42O5Si and a molecular weight of 414.66 g/mol. Its IUPAC name is 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
PubChem CID175882106
Molecular FormulaC22H42O5Si
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC Name2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
SMILESCC(C)[Si](O[C@H]1C[C@H]([C@@H]2COC(C)(C)O2)O[C@H](CC=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O5Si/c1-14(2)28(15(3)4,16(5)6)27-19-12-20(21-13-24-22(8,9)26-21)25-18(10-11-23)17(19)7/h11,14-21H,10,12-13H2,1-9H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyDASMBGOKMXKTSE-LUYSREMJSA-N
XLogP5.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde 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 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde (CID 175882106) is 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde is CC(C)[Si](O[C@H]1C[C@H]([C@@H]2COC(C)(C)O2)O[C@H](CC=O)[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The InChIKey is DASMBGOKMXKTSE-LUYSREMJSA-N. The full InChI is InChI=1S/C22H42O5Si/c1-14(2)28(15(3)4,16(5)6)27-19-12-20(21-13-24-22(8,9)26-21)25-18(10-11-23)17(19)7/h11,14-21H,10,12-13H2,1-9H3/t17-,18+,19-,20+,21-/m0/s1.
What are the key properties of 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde has a molecular weight of 414.66 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 175882106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).