(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine

C18H37NO2Si2 — CID 11068243

IUPAC(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H]1/C(=C\[Si](C)(C)C)CC/C1=N\O
InChIInChI=1S/C18H37NO2Si2/c1-18(2,3)23(7,8)21-13-9-10-16-15(14-22(4,5)6)11-12-17(16)19-20/h14,16,20H,9-13H2,1-8H3/b15-14-,19-17+/t16-/m0/s1
InChIKeyBWTIXFSMDLZDKM-CRMITRNKSA-N
MW355.67 g/mol
LogP5.83
Rot. Bonds6

About (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine

(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine (PubChem CID 11068243) has the molecular formula C18H37NO2Si2 and a molecular weight of 355.67 g/mol. Its IUPAC name is (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine
PubChem CID11068243
Molecular FormulaC18H37NO2Si2
Molecular Weight355.67 g/mol
Exact Mass355.24
IUPAC Name(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H]1/C(=C\[Si](C)(C)C)CC/C1=N\O
InChIInChI=1S/C18H37NO2Si2/c1-18(2,3)23(7,8)21-13-9-10-16-15(14-22(4,5)6)11-12-17(16)19-20/h14,16,20H,9-13H2,1-8H3/b15-14-,19-17+/t16-/m0/s1
InChIKeyBWTIXFSMDLZDKM-CRMITRNKSA-N
XLogP5.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.67
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
CID 10805103
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
CID 25178808
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
(1S,2R,3R,6E)-1-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-6-(trimethylsilylmethylidene)cyclohexane-1,2,3-triol
CID 101414676
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine (CID 11068243) is (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine is CC(C)(C)[Si](C)(C)OCCC[C@H]1/C(=C\[Si](C)(C)C)CC/C1=N\O.
What is the InChIKey of (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine?
The InChIKey is BWTIXFSMDLZDKM-CRMITRNKSA-N. The full InChI is InChI=1S/C18H37NO2Si2/c1-18(2,3)23(7,8)21-13-9-10-16-15(14-22(4,5)6)11-12-17(16)19-20/h14,16,20H,9-13H2,1-8H3/b15-14-,19-17+/t16-/m0/s1.
What are the key properties of (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine?
(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine has a molecular weight of 355.67 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 11068243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).