tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H35NO4 — CID 134982693

IUPACtert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCCCCCC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35NO4/c1-8-9-10-11-12-13-14-15-16-21(17(22)24-19(2,3)4)18(23)25-20(5,6)7/h13,15H,8-12,16H2,1-7H3
InChIKeyXVSUEDVZTWMREK-UHFFFAOYSA-N
MW353.50 g/mol
LogP5.84
Rot. Bonds7

About tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 134982693) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID134982693
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Nametert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCCCCCC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35NO4/c1-8-9-10-11-12-13-14-15-16-21(17(22)24-19(2,3)4)18(23)25-20(5,6)7/h13,15H,8-12,16H2,1-7H3
InChIKeyXVSUEDVZTWMREK-UHFFFAOYSA-N
XLogP5.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 134982693) is tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCCCCCC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is XVSUEDVZTWMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-8-9-10-11-12-13-14-15-16-21(17(22)24-19(2,3)4)18(23)25-20(5,6)7/h13,15H,8-12,16H2,1-7H3.
What are the key properties of tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 353.50 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-deca-2,3-dienyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 134982693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).