methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate

C17H33ClO5 — CID 164593219

IUPACmethyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
SMILESCOC(=O)CCCCCOCCOCCOCCCCCCCl
InChIInChI=1S/C17H33ClO5/c1-20-17(19)9-5-4-8-12-22-14-16-23-15-13-21-11-7-3-2-6-10-18/h2-16H2,1H3
InChIKeyGZKOTPUYNAKSPM-UHFFFAOYSA-N
MW352.90 g/mol
LogP3.57
Rot. Bonds18

About methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate

methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate (PubChem CID 164593219) has the molecular formula C17H33ClO5 and a molecular weight of 352.90 g/mol. Its IUPAC name is methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate.

Molecular Properties

Compound Namemethyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
PubChem CID164593219
Molecular FormulaC17H33ClO5
Molecular Weight352.90 g/mol
Exact Mass352.20
IUPAC Namemethyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
SMILESCOC(=O)CCCCCOCCOCCOCCCCCCCl
InChIInChI=1S/C17H33ClO5/c1-20-17(19)9-5-4-8-12-22-14-16-23-15-13-21-11-7-3-2-6-10-18/h2-16H2,1H3
InChIKeyGZKOTPUYNAKSPM-UHFFFAOYSA-N
XLogP3.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.90
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-chloroheptanoate
CID 529989
methyl 6-propoxyhexanoate
CID 68704998
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
tert-butyl 5-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]pentanoate
CID 129086852
methyl 4-chloro(111C)butanoate
CID 11579134
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
methyl 4-heptoxybutanoate
CID 43378175
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate?
The IUPAC name of methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate (CID 164593219) is methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate.
What is the SMILES notation for methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate?
The canonical SMILES for methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate is COC(=O)CCCCCOCCOCCOCCCCCCCl.
What is the InChIKey of methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate?
The InChIKey is GZKOTPUYNAKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33ClO5/c1-20-17(19)9-5-4-8-12-22-14-16-23-15-13-21-11-7-3-2-6-10-18/h2-16H2,1H3.
What are the key properties of methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate?
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate has a molecular weight of 352.90 g/mol, XLogP of 3.57, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate is sourced from PubChem (CID 164593219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).