1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol

C15H27NO4Si — CID 67856319

IUPAC1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol
SMILESCN(C)CC(O)COCCCO[Si](C)(O)c1ccccc1
InChIInChI=1S/C15H27NO4Si/c1-16(2)12-14(17)13-19-10-7-11-20-21(3,18)15-8-5-4-6-9-15/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3
InChIKeyOXZJIYJBTNMILF-UHFFFAOYSA-N
MW313.47 g/mol
LogP0.30
Rot. Bonds10

About 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol

1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol (PubChem CID 67856319) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol
PubChem CID67856319
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Name1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol
SMILESCN(C)CC(O)COCCCO[Si](C)(O)c1ccccc1
InChIInChI=1S/C15H27NO4Si/c1-16(2)12-14(17)13-19-10-7-11-20-21(3,18)15-8-5-4-6-9-15/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3
InChIKeyOXZJIYJBTNMILF-UHFFFAOYSA-N
XLogP0.30
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol
CID 99771259
(2S)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol
CID 99771258
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713
1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
CID 58067985
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
CID 89311398
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
diethoxy-phenyl-(3-propoxypropyl)silane
CID 141085456

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol (CID 67856319) is 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol is CN(C)CC(O)COCCCO[Si](C)(O)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol?
The InChIKey is OXZJIYJBTNMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4Si/c1-16(2)12-14(17)13-19-10-7-11-20-21(3,18)15-8-5-4-6-9-15/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol?
1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol has a molecular weight of 313.47 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol is sourced from PubChem (CID 67856319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).