tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate

C14H27NO3 — CID 53375450

IUPACtert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate
SMILESC=C[C@@H](COC(C)(C)CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-8-11(10-17-14(6,7)9-2)15-12(16)18-13(3,4)5/h8,11H,1,9-10H2,2-7H3,(H,15,16)/t11-/m0/s1
InChIKeyGXRDGJZJKKUEKB-NSHDSACASA-N
MW257.37 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate

tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate (PubChem CID 53375450) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate
PubChem CID53375450
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate
SMILESC=C[C@@H](COC(C)(C)CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-8-11(10-17-14(6,7)9-2)15-12(16)18-13(3,4)5/h8,11H,1,9-10H2,2-7H3,(H,15,16)/t11-/m0/s1
InChIKeyGXRDGJZJKKUEKB-NSHDSACASA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate (CID 53375450) is tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate is C=C[C@@H](COC(C)(C)CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate?
The InChIKey is GXRDGJZJKKUEKB-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO3/c1-8-11(10-17-14(6,7)9-2)15-12(16)18-13(3,4)5/h8,11H,1,9-10H2,2-7H3,(H,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate?
tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate is sourced from PubChem (CID 53375450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).