tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate

C23H41NO3 — CID 134568320

IUPACtert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H41NO3/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-26-17-21(5)24-22(25)27-23(6,7)8/h11,13,15,21H,9-10,12,14,16-17H2,1-8H3,(H,24,25)/b19-13+,20-15+
InChIKeyREYOVCXWXAPDPR-YLYRKCBPSA-N
MW379.59 g/mol
LogP6.34
Rot. Bonds11

About tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate

tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate (PubChem CID 134568320) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate
PubChem CID134568320
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Nametert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H41NO3/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-26-17-21(5)24-22(25)27-23(6,7)8/h11,13,15,21H,9-10,12,14,16-17H2,1-8H3,(H,24,25)/b19-13+,20-15+
InChIKeyREYOVCXWXAPDPR-YLYRKCBPSA-N
XLogP6.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate (CID 134568320) is tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate is CC(C)=CCC/C(C)=C/CC/C(C)=C/COCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate?
The InChIKey is REYOVCXWXAPDPR-YLYRKCBPSA-N. The full InChI is InChI=1S/C23H41NO3/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-26-17-21(5)24-22(25)27-23(6,7)8/h11,13,15,21H,9-10,12,14,16-17H2,1-8H3,(H,24,25)/b19-13+,20-15+.
What are the key properties of tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate?
tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate has a molecular weight of 379.59 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-yl]carbamate is sourced from PubChem (CID 134568320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).