1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol

C12H29NO3Si — CID 91309100

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCC(CO)NCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H29NO3Si/c1-10(8-14)13-7-11(15)9-16-17(5,6)12(2,3)4/h10-11,13-15H,7-9H2,1-6H3
InChIKeyCDKLLIDJDQSMNX-UHFFFAOYSA-N
MW263.45 g/mol
LogP1.34
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol (PubChem CID 91309100) has the molecular formula C12H29NO3Si and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol
PubChem CID91309100
Molecular FormulaC12H29NO3Si
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCC(CO)NCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H29NO3Si/c1-10(8-14)13-7-11(15)9-16-17(5,6)12(2,3)4/h10-11,13-15H,7-9H2,1-6H3
InChIKeyCDKLLIDJDQSMNX-UHFFFAOYSA-N
XLogP1.34
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-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

1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-(1-hydroxypropan-2-ylamino)butan-2-ol
CID 60885826
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol (CID 91309100) is 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol is CC(CO)NCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The InChIKey is CDKLLIDJDQSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si/c1-10(8-14)13-7-11(15)9-16-17(5,6)12(2,3)4/h10-11,13-15H,7-9H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol has a molecular weight of 263.45 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 91309100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).