tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate

C18H35NO3Si — CID 59249507

IUPACtert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35NO3Si/c1-16(2,3)22-15(20)13-19-12-11-18(9-10-18)14-21-23(7,8)17(4,5)6/h12H,9-11,13-14H2,1-8H3/b19-12+
InChIKeyDPFJLZWKXRGQSI-XDHOZWIPSA-N
MW341.57 g/mol
LogP4.59
Rot. Bonds7

About tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate

tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate (PubChem CID 59249507) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
PubChem CID59249507
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Nametert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35NO3Si/c1-16(2,3)22-15(20)13-19-12-11-18(9-10-18)14-21-23(7,8)17(4,5)6/h12H,9-11,13-14H2,1-8H3/b19-12+
InChIKeyDPFJLZWKXRGQSI-XDHOZWIPSA-N
XLogP4.59
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate?
The IUPAC name of tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate (CID 59249507) is tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate is CC(C)(C)OC(=O)C/N=C/CC1(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate?
The InChIKey is DPFJLZWKXRGQSI-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-16(2,3)22-15(20)13-19-12-11-18(9-10-18)14-21-23(7,8)17(4,5)6/h12H,9-11,13-14H2,1-8H3/b19-12+.
What are the key properties of tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate?
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate has a molecular weight of 341.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate is sourced from PubChem (CID 59249507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).