[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C36H64N2O12 — CID 137334019

IUPAC[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CC/C=C\CCC1)OC1CC/C=C\CCC1
InChIInChI=1S/C36H64N2O12/c39-35(49-33-11-7-3-1-4-8-12-33)37-15-17-41-19-21-43-23-25-45-27-29-47-31-32-48-30-28-46-26-24-44-22-20-42-18-16-38-36(40)50-34-13-9-5-2-6-10-14-34/h1-3,5,33-34H,4,6-32H2,(H,37,39)(H,38,40)/b3-1-,5-2-
InChIKeySPZWBIMXUPJMBJ-LEWNYYKSSA-N
MW716.91 g/mol
LogP4.35
Rot. Bonds29

About [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 137334019) has the molecular formula C36H64N2O12 and a molecular weight of 716.91 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID137334019
Molecular FormulaC36H64N2O12
Molecular Weight716.91 g/mol
Exact Mass716.45
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CC/C=C\CCC1)OC1CC/C=C\CCC1
InChIInChI=1S/C36H64N2O12/c39-35(49-33-11-7-3-1-4-8-12-33)37-15-17-41-19-21-43-23-25-45-27-29-47-31-32-48-30-28-46-26-24-44-22-20-42-18-16-38-36(40)50-34-13-9-5-2-6-10-14-34/h1-3,5,33-34H,4,6-32H2,(H,37,39)(H,38,40)/b3-1-,5-2-
InChIKeySPZWBIMXUPJMBJ-LEWNYYKSSA-N
XLogP4.35
TPSA150.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

CID 53682066
CID 53682066
CID 53691108
CID 53691108
CID 53719642
CID 53719642
CID 53768946
CID 53768946
CID 53815482
CID 53815482
CID 53882796
CID 53882796
CID 53961260
CID 53961260
CID 54094689
CID 54094689
CID 54191294
CID 54191294
CID 54213460
CID 54213460
CID 54307743
CID 54307743
CID 54372010
CID 54372010

Frequently Asked Questions

What is the IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 137334019) is [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CC/C=C\CCC1)OC1CC/C=C\CCC1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is SPZWBIMXUPJMBJ-LEWNYYKSSA-N. The full InChI is InChI=1S/C36H64N2O12/c39-35(49-33-11-7-3-1-4-8-12-33)37-15-17-41-19-21-43-23-25-45-27-29-47-31-32-48-30-28-46-26-24-44-22-20-42-18-16-38-36(40)50-34-13-9-5-2-6-10-14-34/h1-3,5,33-34H,4,6-32H2,(H,37,39)(H,38,40)/b3-1-,5-2-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 716.91 g/mol, XLogP of 4.35, 29 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 137334019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).