1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane

C27H56O11 — CID 19978673

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
SMILESCCOCCOCCOCCOCCC(CCOCCOCCOCCOC)COCCOCCOCC
InChIInChI=1S/C27H56O11/c1-4-29-12-14-34-22-23-37-19-17-32-9-7-27(26-38-25-24-35-15-13-30-5-2)6-8-31-16-18-36-21-20-33-11-10-28-3/h27H,4-26H2,1-3H3
InChIKeyLOKHGTZFIQXPFX-UHFFFAOYSA-N
MW556.73 g/mol
LogP2.23
Rot. Bonds34

About 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane (PubChem CID 19978673) has the molecular formula C27H56O11 and a molecular weight of 556.73 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
PubChem CID19978673
Molecular FormulaC27H56O11
Molecular Weight556.73 g/mol
Exact Mass556.38
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
SMILESCCOCCOCCOCCOCCC(CCOCCOCCOCCOC)COCCOCCOCC
InChIInChI=1S/C27H56O11/c1-4-29-12-14-34-22-23-37-19-17-32-9-7-27(26-38-25-24-35-15-13-30-5-2)6-8-31-16-18-36-21-20-33-11-10-28-3/h27H,4-26H2,1-3H3
InChIKeyLOKHGTZFIQXPFX-UHFFFAOYSA-N
XLogP2.23
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane (CID 19978673) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane is CCOCCOCCOCCOCCC(CCOCCOCCOCCOC)COCCOCCOCC.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane?
The InChIKey is LOKHGTZFIQXPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O11/c1-4-29-12-14-34-22-23-37-19-17-32-9-7-27(26-38-25-24-35-15-13-30-5-2)6-8-31-16-18-36-21-20-33-11-10-28-3/h27H,4-26H2,1-3H3.
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane has a molecular weight of 556.73 g/mol, XLogP of 2.23, 34 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane is sourced from PubChem (CID 19978673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).