1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne

C11H20O3 — CID 165382525

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
SMILESCOCCOCCOCC#CC(C)C
InChIInChI=1S/C11H20O3/c1-11(2)5-4-6-13-9-10-14-8-7-12-3/h11H,6-10H2,1-3H3
InChIKeyOBMDYDVNENYQCA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne

1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne (PubChem CID 165382525) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
PubChem CID165382525
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
SMILESCOCCOCCOCC#CC(C)C
InChIInChI=1S/C11H20O3/c1-11(2)5-4-6-13-9-10-14-8-7-12-3/h11H,6-10H2,1-3H3
InChIKeyOBMDYDVNENYQCA-UHFFFAOYSA-N
XLogP1.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 168959349
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
4-methyl-1-prop-2-enoxypent-2-yne
CID 57470526
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
CID 170709372
CID 173303266
CID 173303266
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine
CID 5157700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne (CID 165382525) is 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne is COCCOCCOCC#CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne?
The InChIKey is OBMDYDVNENYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2)5-4-6-13-9-10-14-8-7-12-3/h11H,6-10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne?
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne has a molecular weight of 200.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne is sourced from PubChem (CID 165382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).