2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline

C19H31NO2Si — CID 135051126

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1cccc(OC)c1C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-9-14-20-15-12-11-13-17(21-6)18(15)16(10-2)22-23(7,8)19(3,4)5/h9-13,16,20H,1-2,14H2,3-8H3
InChIKeyPUNXEFXYKSIHAQ-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.54
Rot. Bonds8

About 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline

2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline (PubChem CID 135051126) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline
PubChem CID135051126
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1cccc(OC)c1C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-9-14-20-15-12-11-13-17(21-6)18(15)16(10-2)22-23(7,8)19(3,4)5/h9-13,16,20H,1-2,14H2,3-8H3
InChIKeyPUNXEFXYKSIHAQ-UHFFFAOYSA-N
XLogP5.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline (CID 135051126) is 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline is C=CCNc1cccc(OC)c1C(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline?
The InChIKey is PUNXEFXYKSIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-9-14-20-15-12-11-13-17(21-6)18(15)16(10-2)22-23(7,8)19(3,4)5/h9-13,16,20H,1-2,14H2,3-8H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline?
2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline has a molecular weight of 333.55 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxy-N-prop-2-enylaniline is sourced from PubChem (CID 135051126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).