2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate

C120H204O46 — CID 161498390

IUPAC2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate
SMILESCCCCC(=O)OCCOCCOCCOC.CCCOC(=O)CC(C(=O)O)C(CC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCOCCOCCOC)C(=O)O
InChIInChI=1S/C108H180O41.C12H24O5/c1-3-64-133-105(124)86-88(107(126)127)89(108(128)129)87-106(125)148-79-48-18-32-62-103(122)146-77-46-16-30-60-101(120)144-75-44-14-28-58-99(118)142-73-42-12-26-56-97(116)140-71-40-10-24-54-95(114)138-69-38-8-22-52-93(112)136-67-36-6-20-50-91(110)134-65-34-4-19-49-90(109)135-66-35-5-21-51-92(111)137-68-37-7-23-53-94(113)139-70-39-9-25-55-96(115)141-72-41-11-27-57-98(117)143-74-43-13-29-59-100(119)145-76-45-15-31-61-102(121)147-78-47-17-33-63-104(123)149-85-84-132-83-82-131-81-80-130-2;1-3-4-5-12(13)17-11-10-16-9-8-15-7-6-14-2/h88-89H,3-87H2,1-2H3,(H,126,127)(H,128,129);3-11H2,1-2H3
InChIKeyWGNBVCAIEFAUAH-UHFFFAOYSA-N
MW2382.91 g/mol
LogP18.30
Rot. Bonds120

About 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate

2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate (PubChem CID 161498390) has the molecular formula C120H204O46 and a molecular weight of 2382.91 g/mol. Its IUPAC name is 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate.

Molecular Properties

Compound Name2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate
PubChem CID161498390
Molecular FormulaC120H204O46
Molecular Weight2382.91 g/mol
Exact Mass2381.36
IUPAC Name2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate
SMILESCCCCC(=O)OCCOCCOCCOC.CCCOC(=O)CC(C(=O)O)C(CC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCOCCOCCOC)C(=O)O
InChIInChI=1S/C108H180O41.C12H24O5/c1-3-64-133-105(124)86-88(107(126)127)89(108(128)129)87-106(125)148-79-48-18-32-62-103(122)146-77-46-16-30-60-101(120)144-75-44-14-28-58-99(118)142-73-42-12-26-56-97(116)140-71-40-10-24-54-95(114)138-69-38-8-22-52-93(112)136-67-36-6-20-50-91(110)134-65-34-4-19-49-90(109)135-66-35-5-21-51-92(111)137-68-37-7-23-53-94(113)139-70-39-9-25-55-96(115)141-72-41-11-27-57-98(117)143-74-43-13-29-59-100(119)145-76-45-15-31-61-102(121)147-78-47-17-33-63-104(123)149-85-84-132-83-82-131-81-80-130-2;1-3-4-5-12(13)17-11-10-16-9-8-15-7-6-14-2/h88-89H,3-87H2,1-2H3,(H,126,127)(H,128,129);3-11H2,1-2H3
InChIKeyWGNBVCAIEFAUAH-UHFFFAOYSA-N
XLogP18.30
TPSA603.38 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds120
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002382.91
LogP ≤ 518.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
butyl 8-methoxyoctanoate
CID 155647547
2-dodecoxyethyl octadecanoate
CID 23042460
5-O-(2-methoxyethyl) 1-O-tetradecyl pentanedioate
CID 91706373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate?
The IUPAC name of 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate (CID 161498390) is 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate.
What is the SMILES notation for 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate?
The canonical SMILES for 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate is CCCCC(=O)OCCOCCOCCOC.CCCOC(=O)CC(C(=O)O)C(CC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCOCCOCCOC)C(=O)O.
What is the InChIKey of 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate?
The InChIKey is WGNBVCAIEFAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H180O41.C12H24O5/c1-3-64-133-105(124)86-88(107(126)127)89(108(128)129)87-106(125)148-79-48-18-32-62-103(122)146-77-46-16-30-60-101(120)144-75-44-14-28-58-99(118)142-73-42-12-26-56-97(116)140-71-40-10-24-54-95(114)138-69-38-8-22-52-93(112)136-67-36-6-20-50-91(110)134-65-34-4-19-49-90(109)135-66-35-5-21-51-92(111)137-68-37-7-23-53-94(113)139-70-39-9-25-55-96(115)141-72-41-11-27-57-98(117)143-74-43-13-29-59-100(119)145-76-45-15-31-61-102(121)147-78-47-17-33-63-104(123)149-85-84-132-83-82-131-81-80-130-2;1-3-4-5-12(13)17-11-10-16-9-8-15-7-6-14-2/h88-89H,3-87H2,1-2H3,(H,126,127)(H,128,129);3-11H2,1-2H3.
What are the key properties of 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate?
2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate has a molecular weight of 2382.91 g/mol, XLogP of 18.30, 120 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-2-oxoethyl]-3-(2-oxo-2-propoxyethyl)butanedioic acid;2-[2-(2-methoxyethoxy)ethoxy]ethyl pentanoate is sourced from PubChem (CID 161498390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).