tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate

C12H23NO4 — CID 59620106

IUPACtert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate
SMILESC=CCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,13,14)
InChIKeyULTNREHTPSLQGF-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.73
Rot. Bonds8

About tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate

tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate (PubChem CID 59620106) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate
PubChem CID59620106
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate
SMILESC=CCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,13,14)
InChIKeyULTNREHTPSLQGF-UHFFFAOYSA-N
XLogP1.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.73
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-prop-2-enoxyethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate (CID 59620106) is tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate is C=CCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate?
The InChIKey is ULTNREHTPSLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate?
tert-butyl N-[2-(2-prop-2-enoxyethoxy)ethyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.73, 8 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-prop-2-enoxyethoxy)ethyl]carbamate is sourced from PubChem (CID 59620106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).