[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate

C17H31NO6 — CID 171318907

IUPAC[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCOCCO)O[C@@H]1CCC=CCCC1
InChIInChI=1S/C17H31NO6/c19-9-11-22-13-15-23-14-12-21-10-8-18-17(20)24-16-6-4-2-1-3-5-7-16/h1-2,16,19H,3-15H2,(H,18,20)/t16-/m1/s1
InChIKeyZOEYSGPCGAYWME-MRXNPFEDSA-N
MW345.44 g/mol
LogP1.64
Rot. Bonds12

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

[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 171318907) has the molecular formula C17H31NO6 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
PubChem CID171318907
Molecular FormulaC17H31NO6
Molecular Weight345.44 g/mol
Exact Mass345.22
IUPAC Name[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCOCCO)O[C@@H]1CCC=CCCC1
InChIInChI=1S/C17H31NO6/c19-9-11-22-13-15-23-14-12-21-10-8-18-17(20)24-16-6-4-2-1-3-5-7-16/h1-2,16,19H,3-15H2,(H,18,20)/t16-/m1/s1
InChIKeyZOEYSGPCGAYWME-MRXNPFEDSA-N
XLogP1.64
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate (CID 171318907) is [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate is O=C(NCCOCCOCCOCCO)O[C@@H]1CCC=CCCC1.
What is the InChIKey of [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is ZOEYSGPCGAYWME-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31NO6/c19-9-11-22-13-15-23-14-12-21-10-8-18-17(20)24-16-6-4-2-1-3-5-7-16/h1-2,16,19H,3-15H2,(H,18,20)/t16-/m1/s1.
What are the key properties of [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 1.64, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 171318907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).