1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol

C24H49NO4Si — CID 101002279

IUPAC1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
SMILESCCCCCCCCNCC(O)COCCOCC(O)CC#C[Si](CC)(CC)CC
InChIInChI=1S/C24H49NO4Si/c1-5-9-10-11-12-13-16-25-20-24(27)22-29-18-17-28-21-23(26)15-14-19-30(6-2,7-3)8-4/h23-27H,5-13,15-18,20-22H2,1-4H3
InChIKeyMVYBUMCKXFJQMK-UHFFFAOYSA-N
MW443.75 g/mol
LogP4.13
Rot. Bonds20

About 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol

1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol (PubChem CID 101002279) has the molecular formula C24H49NO4Si and a molecular weight of 443.75 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
PubChem CID101002279
Molecular FormulaC24H49NO4Si
Molecular Weight443.75 g/mol
Exact Mass443.34
IUPAC Name1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
SMILESCCCCCCCCNCC(O)COCCOCC(O)CC#C[Si](CC)(CC)CC
InChIInChI=1S/C24H49NO4Si/c1-5-9-10-11-12-13-16-25-20-24(27)22-29-18-17-28-21-23(26)15-14-19-30(6-2,7-3)8-4/h23-27H,5-13,15-18,20-22H2,1-4H3
InChIKeyMVYBUMCKXFJQMK-UHFFFAOYSA-N
XLogP4.13
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.75
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The IUPAC name of 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol (CID 101002279) is 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol.
What is the SMILES notation for 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The canonical SMILES for 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol is CCCCCCCCNCC(O)COCCOCC(O)CC#C[Si](CC)(CC)CC.
What is the InChIKey of 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The InChIKey is MVYBUMCKXFJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO4Si/c1-5-9-10-11-12-13-16-25-20-24(27)22-29-18-17-28-21-23(26)15-14-19-30(6-2,7-3)8-4/h23-27H,5-13,15-18,20-22H2,1-4H3.
What are the key properties of 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol has a molecular weight of 443.75 g/mol, XLogP of 4.13, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 101002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).