tert-butyl N-[(4S)-diselenan-4-yl]carbamate

C9H17NO2Se2 — CID 171580666

IUPACtert-butyl N-[(4S)-diselenan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[Se][Se]C1
InChIInChI=1S/C9H17NO2Se2/c1-9(2,3)12-8(11)10-7-4-5-13-14-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyGMYYOVRKUNMXPL-ZETCQYMHSA-N
MW329.16 g/mol
LogP1.44
Rot. Bonds1

About tert-butyl N-[(4S)-diselenan-4-yl]carbamate

tert-butyl N-[(4S)-diselenan-4-yl]carbamate (PubChem CID 171580666) has the molecular formula C9H17NO2Se2 and a molecular weight of 329.16 g/mol. Its IUPAC name is tert-butyl N-[(4S)-diselenan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-diselenan-4-yl]carbamate
PubChem CID171580666
Molecular FormulaC9H17NO2Se2
Molecular Weight329.16 g/mol
Exact Mass330.96
IUPAC Nametert-butyl N-[(4S)-diselenan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[Se][Se]C1
InChIInChI=1S/C9H17NO2Se2/c1-9(2,3)12-8(11)10-7-4-5-13-14-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyGMYYOVRKUNMXPL-ZETCQYMHSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-diselenan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-diselenan-4-yl]carbamate (CID 171580666) is tert-butyl N-[(4S)-diselenan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-diselenan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-diselenan-4-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[Se][Se]C1.
What is the InChIKey of tert-butyl N-[(4S)-diselenan-4-yl]carbamate?
The InChIKey is GMYYOVRKUNMXPL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2Se2/c1-9(2,3)12-8(11)10-7-4-5-13-14-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-diselenan-4-yl]carbamate?
tert-butyl N-[(4S)-diselenan-4-yl]carbamate has a molecular weight of 329.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-diselenan-4-yl]carbamate is sourced from PubChem (CID 171580666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).