2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol

C24H35NO3Si — CID 139768131

IUPAC2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(OCCC[Si]2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C24H35NO3Si/c25-24(19-26,20-27)14-13-21-9-11-22(12-10-21)28-15-6-18-29(16-4-5-17-29)23-7-2-1-3-8-23/h1-3,7-12,26-27H,4-6,13-20,25H2
InChIKeyYUWVLDKTZYKADE-UHFFFAOYSA-N
MW413.63 g/mol
LogP3.22
Rot. Bonds11

About 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol

2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol (PubChem CID 139768131) has the molecular formula C24H35NO3Si and a molecular weight of 413.63 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol
PubChem CID139768131
Molecular FormulaC24H35NO3Si
Molecular Weight413.63 g/mol
Exact Mass413.24
IUPAC Name2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(OCCC[Si]2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C24H35NO3Si/c25-24(19-26,20-27)14-13-21-9-11-22(12-10-21)28-15-6-18-29(16-4-5-17-29)23-7-2-1-3-8-23/h1-3,7-12,26-27H,4-6,13-20,25H2
InChIKeyYUWVLDKTZYKADE-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-amino-2-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
2-amino-2-[2-[4-[4-[benzyl(dimethyl)silyl]butoxy]phenyl]ethyl]propane-1,3-diol
CID 139768141
2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 139768331
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
(2S)-2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 53234284
2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 67606292
2-amino-2-[2-(6-pentoxynaphthalen-2-yl)ethyl]propane-1,3-diol
CID 58709703
2-amino-2-[2-(4-ethynylphenyl)ethyl]propane-1,3-diol
CID 44587276
2-amino-2-[2-[4-[3-[(3-methoxyphenyl)-dimethylsilyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 139768133
2-amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 46205130
[2-(acetyloxymethyl)-2-amino-4-(4-heptoxyphenyl)butyl] acetate
CID 10810592

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol (CID 139768131) is 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol is NC(CO)(CO)CCc1ccc(OCCC[Si]2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol?
The InChIKey is YUWVLDKTZYKADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3Si/c25-24(19-26,20-27)14-13-21-9-11-22(12-10-21)28-15-6-18-29(16-4-5-17-29)23-7-2-1-3-8-23/h1-3,7-12,26-27H,4-6,13-20,25H2.
What are the key properties of 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol has a molecular weight of 413.63 g/mol, XLogP of 3.22, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 139768131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).