CID 66809895

C12H19NO3Si — CID 66809895

IUPAC—
SMILESCOC(OC)[Si]CCCOc1ccccc1N
InChIInChI=1S/C12H19NO3Si/c1-14-12(15-2)17-9-5-8-16-11-7-4-3-6-10(11)13/h3-4,6-7,12H,5,8-9,13H2,1-2H3
InChIKeyZKFGEISFTDWPSF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.74
Rot. Bonds8

About CID 66809895

CID 66809895 (PubChem CID 66809895) has the molecular formula C12H19NO3Si and a molecular weight of 253.37 g/mol.

Molecular Properties

Compound NameCID 66809895
PubChem CID66809895
Molecular FormulaC12H19NO3Si
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name—
SMILESCOC(OC)[Si]CCCOc1ccccc1N
InChIInChI=1S/C12H19NO3Si/c1-14-12(15-2)17-9-5-8-16-11-7-4-3-6-10(11)13/h3-4,6-7,12H,5,8-9,13H2,1-2H3
InChIKeyZKFGEISFTDWPSF-UHFFFAOYSA-N
XLogP1.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-octoxyaniline
CID 14747235
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-methoxyaniline;dihydrochloride
CID 69020746
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-(3,3-difluoropropoxy)aniline
CID 84660949
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
2-ethoxyaniline;molecular hydrogen
CID 144877970

Frequently Asked Questions

What is the IUPAC name of CID 66809895?
The IUPAC name of CID 66809895 (CID 66809895) is not available.
What is the SMILES notation for CID 66809895?
The canonical SMILES for CID 66809895 is COC(OC)[Si]CCCOc1ccccc1N.
What is the InChIKey of CID 66809895?
The InChIKey is ZKFGEISFTDWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3Si/c1-14-12(15-2)17-9-5-8-16-11-7-4-3-6-10(11)13/h3-4,6-7,12H,5,8-9,13H2,1-2H3.
What are the key properties of CID 66809895?
CID 66809895 has a molecular weight of 253.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66809895 is sourced from PubChem (CID 66809895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).