tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate

C15H27NO5 — CID 11109404

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-14(2,3)20-12(18)16(10-8-7-9-11-17)13(19)21-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOQKYKSTUUZERJP-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate (PubChem CID 11109404) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate
PubChem CID11109404
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-14(2,3)20-12(18)16(10-8-7-9-11-17)13(19)21-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOQKYKSTUUZERJP-UHFFFAOYSA-N
XLogP3.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate (CID 11109404) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate is CC(C)(C)OC(=O)N(CCCCC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate?
The InChIKey is OQKYKSTUUZERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-14(2,3)20-12(18)16(10-8-7-9-11-17)13(19)21-15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate has a molecular weight of 301.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentyl)carbamate is sourced from PubChem (CID 11109404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).