[(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate

C41H83NO6 — CID 135258108

About [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate

[(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate (PubChem CID 135258108) has the molecular formula C41H83NO6 and a molecular weight of 686.12 g/mol. Its IUPAC name is [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate.

Molecular Properties

• Compound Name: [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate
• PubChem CID: 135258108
• Molecular Formula: C41H83NO6
• Molecular Weight: 686.12 g/mol
• Exact Mass: 685.62
• IUPAC Name: [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate
• SMILES: CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCC(C)(C)OCC(C)OC)OCCCCCCCCCCCCCC
• InChI: InChI=1S/C41H83NO6/c1-7-9-11-13-15-17-19-21-23-25-27-29-33-45-36-39(46-34-30-28-26-24-22-20-18-16-14-12-10-8-2)37-47-40(43)42-32-31-41(4,5)48-35-38(3)44-6/h38-39H,7-37H2,1-6H3,(H,42,43)/t38?,39-/m1/s1
• InChIKey: UIOXYHMADAIAFR-KLMICZSBSA-N
• XLogP: 11.74
• TPSA: 75.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 38
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.12
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate?

The IUPAC name of [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate (CID 135258108) is [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate.

What is the SMILES notation for [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate?

The canonical SMILES for [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate is CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCC(C)(C)OCC(C)OC)OCCCCCCCCCCCCCC.

What is the InChIKey of [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate?

The InChIKey is UIOXYHMADAIAFR-KLMICZSBSA-N. The full InChI is InChI=1S/C41H83NO6/c1-7-9-11-13-15-17-19-21-23-25-27-29-33-45-36-39(46-34-30-28-26-24-22-20-18-16-14-12-10-8-2)37-47-40(43)42-32-31-41(4,5)48-35-38(3)44-6/h38-39H,7-37H2,1-6H3,(H,42,43)/t38?,39-/m1/s1.

What are the key properties of [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate?

[(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate has a molecular weight of 686.12 g/mol, XLogP of 11.74, 38 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2,3-di(tetradecoxy)propyl] N-[3-(2-methoxypropoxy)-3-methylbutyl]carbamate is sourced from PubChem (CID 135258108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).