4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane

C25H52O7 — CID 158158033

IUPAC4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane
SMILESCCCCC(CC)CC(C)C(OCCOCCOCCC)OCCOCCOCCOC
InChIInChI=1S/C25H52O7/c1-6-9-10-24(8-3)22-23(4)25(31-20-18-29-15-14-27-11-7-2)32-21-19-30-17-16-28-13-12-26-5/h23-25H,6-22H2,1-5H3
InChIKeyOOHSKUOGRDQGAY-UHFFFAOYSA-N
MW464.68 g/mol
LogP4.71
Rot. Bonds26

About 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane

4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane (PubChem CID 158158033) has the molecular formula C25H52O7 and a molecular weight of 464.68 g/mol. Its IUPAC name is 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane.

Molecular Properties

Compound Name4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane
PubChem CID158158033
Molecular FormulaC25H52O7
Molecular Weight464.68 g/mol
Exact Mass464.37
IUPAC Name4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane
SMILESCCCCC(CC)CC(C)C(OCCOCCOCCC)OCCOCCOCCOC
InChIInChI=1S/C25H52O7/c1-6-9-10-24(8-3)22-23(4)25(31-20-18-29-15-14-27-11-7-2)32-21-19-30-17-16-28-13-12-26-5/h23-25H,6-22H2,1-5H3
InChIKeyOOHSKUOGRDQGAY-UHFFFAOYSA-N
XLogP4.71
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
N,5-diethyl-1-(2-methoxyethoxy)nonan-3-amine
CID 102928484
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
(6-ethyl-1-methoxydecan-4-yl)hydrazine
CID 105224979
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
6-ethyl-4-methyldecan-3-amine
CID 63562264
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
O-hexan-2-ylhydroxylamine;2-(2-methoxyethoxy)ethanamine
CID 89466317
6-ethyl-3-methoxy-4-(methoxymethyl)-2-methyldecane
CID 141430108
4-ethyl-1-[3-(4-ethyl-2-hydroxyoctoxy)propoxy]octan-2-ol
CID 175206143

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane?
The IUPAC name of 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane (CID 158158033) is 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane.
What is the SMILES notation for 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane?
The canonical SMILES for 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane is CCCCC(CC)CC(C)C(OCCOCCOCCC)OCCOCCOCCOC.
What is the InChIKey of 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane?
The InChIKey is OOHSKUOGRDQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O7/c1-6-9-10-24(8-3)22-23(4)25(31-20-18-29-15-14-27-11-7-2)32-21-19-30-17-16-28-13-12-26-5/h23-25H,6-22H2,1-5H3.
What are the key properties of 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane?
4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane has a molecular weight of 464.68 g/mol, XLogP of 4.71, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-1-[2-(2-propoxyethoxy)ethoxy]octane is sourced from PubChem (CID 158158033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).