tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane

C15H31NO3 — CID 169218189

IUPACtert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane
SMILESC=CCCCOCC(C)NC(=O)OC(C)(C)C.CC
InChIInChI=1S/C13H25NO3.C2H6/c1-6-7-8-9-16-10-11(2)14-12(15)17-13(3,4)5;1-2/h6,11H,1,7-10H2,2-5H3,(H,14,15);1-2H3
InChIKeyDWCBRZWCQJTGRD-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.91
Rot. Bonds7

About tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane

tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane (PubChem CID 169218189) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane
PubChem CID169218189
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nametert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane
SMILESC=CCCCOCC(C)NC(=O)OC(C)(C)C.CC
InChIInChI=1S/C13H25NO3.C2H6/c1-6-7-8-9-16-10-11(2)14-12(15)17-13(3,4)5;1-2/h6,11H,1,7-10H2,2-5H3,(H,14,15);1-2H3
InChIKeyDWCBRZWCQJTGRD-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane (CID 169218189) is tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane is C=CCCCOCC(C)NC(=O)OC(C)(C)C.CC.
What is the InChIKey of tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane?
The InChIKey is DWCBRZWCQJTGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.C2H6/c1-6-7-8-9-16-10-11(2)14-12(15)17-13(3,4)5;1-2/h6,11H,1,7-10H2,2-5H3,(H,14,15);1-2H3.
What are the key properties of tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane?
tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane has a molecular weight of 273.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane is sourced from PubChem (CID 169218189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).