tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate

C12H23NO2 — CID 15936517

IUPACtert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
SMILESC/C=C/C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7-10H,1-6H3,(H,13,14)/b8-7+
InChIKeyGLWBJARSFMEAEA-BQYQJAHWSA-N
MW213.32 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate

tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate (PubChem CID 15936517) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
PubChem CID15936517
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
SMILESC/C=C/C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7-10H,1-6H3,(H,13,14)/b8-7+
InChIKeyGLWBJARSFMEAEA-BQYQJAHWSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
tert-butyl N-[(E,3S)-2,6-dimethyl-8-oxonon-4-en-3-yl]carbamate
CID 10062387
ethyl (E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 10084564
[(E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enyl] acetate
CID 10333402
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(E)-1-(hydroxyamino)-1-oxopent-3-en-2-yl]carbamate
CID 163956340
tert-butyl N-[(E,3S)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]carbamate
CID 70063311
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 51050043
tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
CID 142556897
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate (CID 15936517) is tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate is C/C=C/C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate?
The InChIKey is GLWBJARSFMEAEA-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7-10H,1-6H3,(H,13,14)/b8-7+.
What are the key properties of tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate?
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate is sourced from PubChem (CID 15936517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).