CID 71254525

C18H30NO2Si — CID 71254525

IUPAC—
SMILESCCCC(CCC)(CCCOc1cccc(N(C)C)c1)O[Si]
InChIInChI=1S/C18H30NO2Si/c1-5-11-18(21-22,12-6-2)13-8-14-20-17-10-7-9-16(15-17)19(3)4/h7,9-10,15H,5-6,8,11-14H2,1-4H3
InChIKeyZQOYVQVTIBJDKQ-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.35
Rot. Bonds11

About CID 71254525

CID 71254525 (PubChem CID 71254525) has the molecular formula C18H30NO2Si and a molecular weight of 320.53 g/mol.

Molecular Properties

Compound NameCID 71254525
PubChem CID71254525
Molecular FormulaC18H30NO2Si
Molecular Weight320.53 g/mol
Exact Mass320.20
IUPAC Name—
SMILESCCCC(CCC)(CCCOc1cccc(N(C)C)c1)O[Si]
InChIInChI=1S/C18H30NO2Si/c1-5-11-18(21-22,12-6-2)13-8-14-20-17-10-7-9-16(15-17)19(3)4/h7,9-10,15H,5-6,8,11-14H2,1-4H3
InChIKeyZQOYVQVTIBJDKQ-UHFFFAOYSA-N
XLogP4.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
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

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3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
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azanium [5-[3-(dimethylamino)phenoxy]-2-methylpentan-2-yl] sulfate
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3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
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4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
3-(4-chlorobut-2-enoxy)-N,N-dimethylaniline
CID 77051116

Frequently Asked Questions

What is the IUPAC name of CID 71254525?
The IUPAC name of CID 71254525 (CID 71254525) is not available.
What is the SMILES notation for CID 71254525?
The canonical SMILES for CID 71254525 is CCCC(CCC)(CCCOc1cccc(N(C)C)c1)O[Si].
What is the InChIKey of CID 71254525?
The InChIKey is ZQOYVQVTIBJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO2Si/c1-5-11-18(21-22,12-6-2)13-8-14-20-17-10-7-9-16(15-17)19(3)4/h7,9-10,15H,5-6,8,11-14H2,1-4H3.
What are the key properties of CID 71254525?
CID 71254525 has a molecular weight of 320.53 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71254525 is sourced from PubChem (CID 71254525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).