(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine

C23H32ClNO3Si — CID 58878865

IUPAC(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine
SMILESCC(C)[Si](Oc1cc(Cl)c(OCc2ccccc2)c(/C=N/O)c1)(C(C)C)C(C)C
InChIInChI=1S/C23H32ClNO3Si/c1-16(2)29(17(3)4,18(5)6)28-21-12-20(14-25-26)23(22(24)13-21)27-15-19-10-8-7-9-11-19/h7-14,16-18,26H,15H2,1-6H3/b25-14+
InChIKeyNMMQIZHKBDXQHK-AFUMVMLFSA-N
MW434.05 g/mol
LogP7.28
Rot. Bonds9

About (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine

(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine (PubChem CID 58878865) has the molecular formula C23H32ClNO3Si and a molecular weight of 434.05 g/mol. Its IUPAC name is (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine
PubChem CID58878865
Molecular FormulaC23H32ClNO3Si
Molecular Weight434.05 g/mol
Exact Mass433.18
IUPAC Name(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine
SMILESCC(C)[Si](Oc1cc(Cl)c(OCc2ccccc2)c(/C=N/O)c1)(C(C)C)C(C)C
InChIInChI=1S/C23H32ClNO3Si/c1-16(2)29(17(3)4,18(5)6)28-21-12-20(14-25-26)23(22(24)13-21)27-15-19-10-8-7-9-11-19/h7-14,16-18,26H,15H2,1-6H3/b25-14+
InChIKeyNMMQIZHKBDXQHK-AFUMVMLFSA-N
XLogP7.28
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.05
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine (CID 58878865) is (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine is CC(C)[Si](Oc1cc(Cl)c(OCc2ccccc2)c(/C=N/O)c1)(C(C)C)C(C)C.
What is the InChIKey of (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine?
The InChIKey is NMMQIZHKBDXQHK-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H32ClNO3Si/c1-16(2)29(17(3)4,18(5)6)28-21-12-20(14-25-26)23(22(24)13-21)27-15-19-10-8-7-9-11-19/h7-14,16-18,26H,15H2,1-6H3/b25-14+.
What are the key properties of (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine has a molecular weight of 434.05 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 58878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).