2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate

C24H46O4 — CID 54035341

IUPAC2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate
SMILESCCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OCCOCCOC
InChIInChI=1S/C24H46O4/c1-3-4-5-6-8-11-14-22-21-23(22)15-12-9-7-10-13-16-24(25)28-20-19-27-18-17-26-2/h22-23H,3-21H2,1-2H3/t22-,23+/m0/s1
InChIKeyLINQKXSEKAWBOU-XZOQPEGZSA-N
MW398.63 g/mol
LogP6.31
Rot. Bonds21

About 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate

2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate (PubChem CID 54035341) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate
PubChem CID54035341
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Name2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate
SMILESCCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OCCOCCOC
InChIInChI=1S/C24H46O4/c1-3-4-5-6-8-11-14-22-21-23(22)15-12-9-7-10-13-16-24(25)28-20-19-27-18-17-26-2/h22-23H,3-21H2,1-2H3/t22-,23+/m0/s1
InChIKeyLINQKXSEKAWBOU-XZOQPEGZSA-N
XLogP6.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.31
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 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate (CID 54035341) is 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate is CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate?
The InChIKey is LINQKXSEKAWBOU-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H46O4/c1-3-4-5-6-8-11-14-22-21-23(22)15-12-9-7-10-13-16-24(25)28-20-19-27-18-17-26-2/h22-23H,3-21H2,1-2H3/t22-,23+/m0/s1.
What are the key properties of 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate?
2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate has a molecular weight of 398.63 g/mol, XLogP of 6.31, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate is sourced from PubChem (CID 54035341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).