(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine

C17H29NO2Si — CID 59857604

IUPAC(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H29NO2Si/c1-12(2)21(13(3)4,14(5)6)20-17-10-8-16(9-11-17)15(7)18-19/h8-14,19H,1-7H3/b18-15+
InChIKeyIXZOLTPZMJBCGU-OBGWFSINSA-N
MW307.51 g/mol
LogP5.44
Rot. Bonds6

About (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine (PubChem CID 59857604) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine
PubChem CID59857604
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H29NO2Si/c1-12(2)21(13(3)4,14(5)6)20-17-10-8-16(9-11-17)15(7)18-19/h8-14,19H,1-7H3/b18-15+
InChIKeyIXZOLTPZMJBCGU-OBGWFSINSA-N
XLogP5.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine (CID 59857604) is (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine?
The InChIKey is IXZOLTPZMJBCGU-OBGWFSINSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-12(2)21(13(3)4,14(5)6)20-17-10-8-16(9-11-17)15(7)18-19/h8-14,19H,1-7H3/b18-15+.
What are the key properties of (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine has a molecular weight of 307.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 59857604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).