1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol

C23H41NO5Si — CID 11546658

IUPAC1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCC1(C)O[C@@H](CNCC(O)COCc2ccccc2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H41NO5Si/c1-22(2,3)30(6,7)27-17-21-20(28-23(4,5)29-21)14-24-13-19(25)16-26-15-18-11-9-8-10-12-18/h8-12,19-21,24-25H,13-17H2,1-7H3/t19?,20-,21+/m0/s1
InChIKeyGMDIAGGYFHFARQ-GJGLBJJNSA-N
MW439.67 g/mol
LogP3.70
Rot. Bonds11

About 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol

1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 11546658) has the molecular formula C23H41NO5Si and a molecular weight of 439.67 g/mol. Its IUPAC name is 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID11546658
Molecular FormulaC23H41NO5Si
Molecular Weight439.67 g/mol
Exact Mass439.28
IUPAC Name1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCC1(C)O[C@@H](CNCC(O)COCc2ccccc2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H41NO5Si/c1-22(2,3)30(6,7)27-17-21-20(28-23(4,5)29-21)14-24-13-19(25)16-26-15-18-11-9-8-10-12-18/h8-12,19-21,24-25H,13-17H2,1-7H3/t19?,20-,21+/m0/s1
InChIKeyGMDIAGGYFHFARQ-GJGLBJJNSA-N
XLogP3.70
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1s,14s)-16-Phenyl-6,9,15,17-tetraoxa-3,12-di-azabicyclo[12.3.0]heptadecane
CID 12065732
N-[[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl]prop-2-yn-1-amine
CID 135011600
(2R,3S,4R)-4-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxybutan-2-ol
CID 135073004
(2R,3S,4R)-4-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxybutan-2-ol
CID 135073158
N-[(E,1R,4R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethoxy)pent-2-enyl]-2,2,2-trifluoroacetamide
CID 10626719
1-[(2-Fluorophenyl)methoxy]-3-[(2-methyloxolan-3-yl)methylamino]propan-2-ol
CID 105736203
2-[(2,2-Dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methylamino]ethanol;hydrochloride
CID 24194526
[(4R,5S)-2,2-dimethyl-5-[(2R,3R)-3-phenylmethoxypiperidin-2-yl]-1,3-dioxolan-4-yl]methanol
CID 9996192
tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane
CID 11121645
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 14526378
(2S,3R,4R,5S)-2-methoxy-4-(methylamino)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 53891043
(2R,3R,4R,5S)-2-methoxy-4-(methylamino)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 53891044

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol (CID 11546658) is 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol is CC1(C)O[C@@H](CNCC(O)COCc2ccccc2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is GMDIAGGYFHFARQ-GJGLBJJNSA-N. The full InChI is InChI=1S/C23H41NO5Si/c1-22(2,3)30(6,7)27-17-21-20(28-23(4,5)29-21)14-24-13-19(25)16-26-15-18-11-9-8-10-12-18/h8-12,19-21,24-25H,13-17H2,1-7H3/t19?,20-,21+/m0/s1.
What are the key properties of 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol?
1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 439.67 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 11546658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).