tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen

C13H29NO4 — CID 144871729

IUPACtert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen
SMILESC=CCCOCCOCCNC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C13H25NO4.2H2/c1-5-6-8-16-10-11-17-9-7-14-12(15)18-13(2,3)4;;/h5H,1,6-11H2,2-4H3,(H,14,15);2*1H
InChIKeyCUVPGPCKHSAMPI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds9

About tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen

tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen (PubChem CID 144871729) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen
PubChem CID144871729
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Nametert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen
SMILESC=CCCOCCOCCNC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C13H25NO4.2H2/c1-5-6-8-16-10-11-17-9-7-14-12(15)18-13(2,3)4;;/h5H,1,6-11H2,2-4H3,(H,14,15);2*1H
InChIKeyCUVPGPCKHSAMPI-UHFFFAOYSA-N
XLogP2.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen (CID 144871729) is tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen is C=CCCOCCOCCNC(=O)OC(C)(C)C.[H][H].[H][H].
What is the InChIKey of tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen?
The InChIKey is CUVPGPCKHSAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4.2H2/c1-5-6-8-16-10-11-17-9-7-14-12(15)18-13(2,3)4;;/h5H,1,6-11H2,2-4H3,(H,14,15);2*1H.
What are the key properties of tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen?
tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen has a molecular weight of 263.38 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-but-3-enoxyethoxy)ethyl]carbamate;molecular hydrogen is sourced from PubChem (CID 144871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).