tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate

C12H23NO3 — CID 163751900

IUPACtert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate
SMILESCC/C=C\CC(NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C12H23NO3/c1-6-7-8-9-10(15-5)13-11(14)16-12(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,13,14)/b8-7-
InChIKeyLQRLBCBTEHIZAH-FPLPWBNLSA-N
MW229.32 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate

tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate (PubChem CID 163751900) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate
PubChem CID163751900
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate
SMILESCC/C=C\CC(NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C12H23NO3/c1-6-7-8-9-10(15-5)13-11(14)16-12(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,13,14)/b8-7-
InChIKeyLQRLBCBTEHIZAH-FPLPWBNLSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
CID 51898096
dimethyl (E)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-enedioate
CID 10717511
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylbutanoic acid
CID 167257962
CID 58186857
CID 58186857
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] formate
CID 89296265
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate (CID 163751900) is tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate is CC/C=C\CC(NC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate?
The InChIKey is LQRLBCBTEHIZAH-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-7-8-9-10(15-5)13-11(14)16-12(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,13,14)/b8-7-.
What are the key properties of tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate?
tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-methoxyhex-3-enyl]carbamate is sourced from PubChem (CID 163751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).