lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

C20H31LiO7 — CID 177432135

IUPAClithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILES[Li+].c1ccc([CH-]OCC2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C20H31O7.Li/c1-2-4-19(5-3-1)16-26-18-20-17-25-13-12-23-9-8-21-6-7-22-10-11-24-14-15-27-20;/h1-5,16,20H,6-15,17-18H2;/q-1;+1
InChIKeyGDOZPPBGVZLJPO-UHFFFAOYSA-N
MW390.40 g/mol
LogP-1.30
Rot. Bonds4

About lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 177432135) has the molecular formula C20H31LiO7 and a molecular weight of 390.40 g/mol. Its IUPAC name is lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Namelithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID177432135
Molecular FormulaC20H31LiO7
Molecular Weight390.40 g/mol
Exact Mass390.22
IUPAC Namelithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILES[Li+].c1ccc([CH-]OCC2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C20H31O7.Li/c1-2-4-19(5-3-1)16-26-18-20-17-25-13-12-23-9-8-21-6-7-22-10-11-24-14-15-27-20;/h1-5,16,20H,6-15,17-18H2;/q-1;+1
InChIKeyGDOZPPBGVZLJPO-UHFFFAOYSA-N
XLogP-1.30
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 177432135) is lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is [Li+].c1ccc([CH-]OCC2COCCOCCOCCOCCOCCO2)cc1.
What is the InChIKey of lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is GDOZPPBGVZLJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31O7.Li/c1-2-4-19(5-3-1)16-26-18-20-17-25-13-12-23-9-8-21-6-7-22-10-11-24-14-15-27-20;/h1-5,16,20H,6-15,17-18H2;/q-1;+1.
What are the key properties of lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 390.40 g/mol, XLogP of -1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 177432135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).