tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate

C16H31NO3 — CID 143638662

IUPACtert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate
SMILESC=C(CC[C@@H](CC)NC(=O)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-9-13(17-14(18)20-16(6,7)8)11-10-12(2)19-15(3,4)5/h13H,2,9-11H2,1,3-8H3,(H,17,18)/t13-/m1/s1
InChIKeyWBZCGNHJRRYCMP-CYBMUJFWSA-N
MW285.43 g/mol
LogP4.40
Rot. Bonds6

About tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate

tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate (PubChem CID 143638662) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate
PubChem CID143638662
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate
SMILESC=C(CC[C@@H](CC)NC(=O)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-9-13(17-14(18)20-16(6,7)8)11-10-12(2)19-15(3,4)5/h13H,2,9-11H2,1,3-8H3,(H,17,18)/t13-/m1/s1
InChIKeyWBZCGNHJRRYCMP-CYBMUJFWSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]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-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077
tert-butyl N-[(2R,3R)-2-methyl-6-methylideneoxan-3-yl]carbamate
CID 68368852
tert-butyl N-[(5S)-5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
CID 87756695
tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate
CID 91113406
tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
CID 123233408
tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate;ethane
CID 143638661
tert-butyl N-[(3R)-hept-6-en-3-yl]carbamate
CID 143813133
tert-butyl N-[(3S)-6-[(2-methylpropan-2-yl)oxy]hepta-1,6-dien-3-yl]carbamate
CID 145654505
tert-butyl N-[(2S)-5-methylhex-5-en-2-yl]carbamate
CID 155307886
tert-butyl N-(4-but-1-en-2-yloxycyclohexyl)carbamate
CID 164054091
tert-butyl N-octa-1,7-dien-4-ylcarbamate
CID 11031531
tert-butyl N-[(4S)-hept-1-en-4-yl]carbamate
CID 11830788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate (CID 143638662) is tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate is C=C(CC[C@@H](CC)NC(=O)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate?
The InChIKey is WBZCGNHJRRYCMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H31NO3/c1-9-13(17-14(18)20-16(6,7)8)11-10-12(2)19-15(3,4)5/h13H,2,9-11H2,1,3-8H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate?
tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate is sourced from PubChem (CID 143638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).