1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane

C13H28O3 — CID 54377371

IUPAC1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
SMILESCCOCCOCCOCCC(CC)CC
InChIInChI=1S/C13H28O3/c1-4-13(5-2)7-8-15-11-12-16-10-9-14-6-3/h13H,4-12H2,1-3H3
InChIKeyHEAZSMWVRONHLE-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.88
Rot. Bonds12

About 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane

1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane (PubChem CID 54377371) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
PubChem CID54377371
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
SMILESCCOCCOCCOCCC(CC)CC
InChIInChI=1S/C13H28O3/c1-4-13(5-2)7-8-15-11-12-16-10-9-14-6-3/h13H,4-12H2,1-3H3
InChIKeyHEAZSMWVRONHLE-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
1-ethoxy-5-ethylheptan-3-ol
CID 105122574
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
1,2-diethoxyethane;hydrofluoride
CID 175535770
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
6-(2-ethoxyethyl)dodecane
CID 130410548
7-(2-ethoxyethyl)tridecane
CID 130410574
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
N-(cyclopropylmethyl)-4-ethoxy-2-ethylbutan-1-amine
CID 102547557
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane (CID 54377371) is 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane is CCOCCOCCOCCC(CC)CC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane?
The InChIKey is HEAZSMWVRONHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-13(5-2)7-8-15-11-12-16-10-9-14-6-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane?
1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane has a molecular weight of 232.36 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane is sourced from PubChem (CID 54377371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).