2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol

C16H37NO2Si — CID 86200813

IUPAC2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol
SMILESCCCCCCCC[Si](C)(C)CCCC(N)(CO)CO
InChIInChI=1S/C16H37NO2Si/c1-4-5-6-7-8-9-12-20(2,3)13-10-11-16(17,14-18)15-19/h18-19H,4-15,17H2,1-3H3
InChIKeyFOLARJPVCDBJHY-UHFFFAOYSA-N
MW303.56 g/mol
LogP3.52
Rot. Bonds13

About 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol

2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol (PubChem CID 86200813) has the molecular formula C16H37NO2Si and a molecular weight of 303.56 g/mol. Its IUPAC name is 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol
PubChem CID86200813
Molecular FormulaC16H37NO2Si
Molecular Weight303.56 g/mol
Exact Mass303.26
IUPAC Name2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol
SMILESCCCCCCCC[Si](C)(C)CCCC(N)(CO)CO
InChIInChI=1S/C16H37NO2Si/c1-4-5-6-7-8-9-12-20(2,3)13-10-11-16(17,14-18)15-19/h18-19H,4-15,17H2,1-3H3
InChIKeyFOLARJPVCDBJHY-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-pentadecylpropane-1,3-diol
CID 10266875
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-amino-2-propylpentadecan-1-ol
CID 87201203
butyl-dimethyl-undecylsilane
CID 54018421
12-undecyltricosan-12-amine;hydrate
CID 173445536
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
3-[hexyl(dimethyl)silyl]propan-1-amine
CID 139880015
11-decylhenicosan-11-amine
CID 19847882
7-[dimethyl(octadecyl)silyl]heptanamide
CID 175975637
2-amino-2-[3-(4-heptylphenyl)propyl]propane-1,3-diol;hydrochloride
CID 45264761
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrate
CID 46203920
[dimethyl(octadecyl)silyl]methanamine
CID 87605582

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol (CID 86200813) is 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol is CCCCCCCC[Si](C)(C)CCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol?
The InChIKey is FOLARJPVCDBJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO2Si/c1-4-5-6-7-8-9-12-20(2,3)13-10-11-16(17,14-18)15-19/h18-19H,4-15,17H2,1-3H3.
What are the key properties of 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol?
2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol has a molecular weight of 303.56 g/mol, XLogP of 3.52, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol is sourced from PubChem (CID 86200813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).