4-(2-methoxyethoxymethoxy)pent-2-en-1-ol

C9H18O4 — CID 71346102

IUPAC4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
SMILESCOCCOCOC(C)C=CCO
InChIInChI=1S/C9H18O4/c1-9(4-3-5-10)13-8-12-7-6-11-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJLUJUHFAUNPJIS-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds8

About 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol

4-(2-methoxyethoxymethoxy)pent-2-en-1-ol (PubChem CID 71346102) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
PubChem CID71346102
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
SMILESCOCCOCOC(C)C=CCO
InChIInChI=1S/C9H18O4/c1-9(4-3-5-10)13-8-12-7-6-11-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJLUJUHFAUNPJIS-UHFFFAOYSA-N
XLogP0.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
CID 11205834
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
(E,3S,6S)-6-(2-methoxyethoxymethoxy)-3-phenylhept-4-enoic acid
CID 100924631
[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
CID 10615961
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
CID 14201885
2-methoxyethoxymethanol
CID 18720532
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
(E)-4-methylpent-2-en-1-ol
CID 5362786

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol?
The IUPAC name of 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol (CID 71346102) is 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol.
What is the SMILES notation for 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol?
The canonical SMILES for 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol is COCCOCOC(C)C=CCO.
What is the InChIKey of 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol?
The InChIKey is JLUJUHFAUNPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(4-3-5-10)13-8-12-7-6-11-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol?
4-(2-methoxyethoxymethoxy)pent-2-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxymethoxy)pent-2-en-1-ol is sourced from PubChem (CID 71346102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).