3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol

C10H25NO4Si — CID 141086045

IUPAC3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
SMILESCCO[Si](OC)(OC(C)C(C)O)C(N)CC
InChIInChI=1S/C10H25NO4Si/c1-6-10(11)16(13-5,14-7-2)15-9(4)8(3)12/h8-10,12H,6-7,11H2,1-5H3
InChIKeyYNCASKPNJODXDC-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.67
Rot. Bonds8

About 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol

3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol (PubChem CID 141086045) has the molecular formula C10H25NO4Si and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
PubChem CID141086045
Molecular FormulaC10H25NO4Si
Molecular Weight251.40 g/mol
Exact Mass251.16
IUPAC Name3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
SMILESCCO[Si](OC)(OC(C)C(C)O)C(N)CC
InChIInChI=1S/C10H25NO4Si/c1-6-10(11)16(13-5,14-7-2)15-9(4)8(3)12/h8-10,12H,6-7,11H2,1-5H3
InChIKeyYNCASKPNJODXDC-UHFFFAOYSA-N
XLogP0.67
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-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-[diethoxy(trimethylsilyloxy)silyl]propan-1-amine
CID 88595830
1-[1-aminoethyl(diethoxy)silyl]propan-1-amine
CID 174628727
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
3-[dihydroxy(methoxy)silyl]oxybutan-2-ol
CID 163366479
4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
CID 156790524
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
CID 87217216
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
2-[diethoxy(propyl)silyl]oxypropane-1,1-diamine
CID 175506053

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol?
The IUPAC name of 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol (CID 141086045) is 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol.
What is the SMILES notation for 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol?
The canonical SMILES for 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol is CCO[Si](OC)(OC(C)C(C)O)C(N)CC.
What is the InChIKey of 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol?
The InChIKey is YNCASKPNJODXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO4Si/c1-6-10(11)16(13-5,14-7-2)15-9(4)8(3)12/h8-10,12H,6-7,11H2,1-5H3.
What are the key properties of 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol?
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol has a molecular weight of 251.40 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol is sourced from PubChem (CID 141086045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).