2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane

C17H36O7 — CID 174802601

IUPAC2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
SMILESCCCCCOCCOCCOCCOCC.CCOCC(=O)O
InChIInChI=1S/C13H28O4.C4H8O3/c1-3-5-6-7-15-10-11-17-13-12-16-9-8-14-4-2;1-2-7-3-4(5)6/h3-13H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyQDGKTHPGEGEHAW-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.37
Rot. Bonds17

About 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane

2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane (PubChem CID 174802601) has the molecular formula C17H36O7 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane.

Molecular Properties

Compound Name2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
PubChem CID174802601
Molecular FormulaC17H36O7
Molecular Weight352.47 g/mol
Exact Mass352.25
IUPAC Name2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
SMILESCCCCCOCCOCCOCCOCC.CCOCC(=O)O
InChIInChI=1S/C13H28O4.C4H8O3/c1-3-5-6-7-15-10-11-17-13-12-16-9-8-14-4-2;1-2-7-3-4(5)6/h3-13H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyQDGKTHPGEGEHAW-UHFFFAOYSA-N
XLogP2.37
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-(3-pentoxypropoxy)acetic acid
CID 87690059
2-pentadecoxyacetic acid
CID 19866534
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-octadecoxyacetic acid
CID 4147678
2-nonadecoxyacetic acid
CID 91373626
sodium;2-decoxyacetic acid;hydride
CID 173154900
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-ethoxyacetic acid
CID 159744705

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane?
The IUPAC name of 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane (CID 174802601) is 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane.
What is the SMILES notation for 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane?
The canonical SMILES for 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane is CCCCCOCCOCCOCCOCC.CCOCC(=O)O.
What is the InChIKey of 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane?
The InChIKey is QDGKTHPGEGEHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4.C4H8O3/c1-3-5-6-7-15-10-11-17-13-12-16-9-8-14-4-2;1-2-7-3-4(5)6/h3-13H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane?
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane has a molecular weight of 352.47 g/mol, XLogP of 2.37, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane is sourced from PubChem (CID 174802601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).