methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal

C10H20O3 — CID 156813990

IUPACmethoxyethane;(Z)-3-(methoxymethyl)pent-2-enal
SMILESCC/C(=C/C=O)COC.CCOC
InChIInChI=1S/C7H12O2.C3H8O/c1-3-7(4-5-8)6-9-2;1-3-4-2/h4-5H,3,6H2,1-2H3;3H2,1-2H3/b7-4-;
InChIKeyZLSADMIYVXFABU-ZULQGGHCSA-N
MW188.27 g/mol
LogP1.82
Rot. Bonds5

About methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal

methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal (PubChem CID 156813990) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal.

Molecular Properties

Compound Namemethoxyethane;(Z)-3-(methoxymethyl)pent-2-enal
PubChem CID156813990
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethoxyethane;(Z)-3-(methoxymethyl)pent-2-enal
SMILESCC/C(=C/C=O)COC.CCOC
InChIInChI=1S/C7H12O2.C3H8O/c1-3-7(4-5-8)6-9-2;1-3-4-2/h4-5H,3,6H2,1-2H3;3H2,1-2H3/b7-4-;
InChIKeyZLSADMIYVXFABU-ZULQGGHCSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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5-ethyl-3-(methoxymethyl)hepta-2,4-diene
CID 123423064
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3-(2-ethylbut-1-enoxymethylidene)pentane
CID 69017814
methane;methoxyethane
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CID 45122131
(E)-3-ethyl-6-pyrrol-1-ylhex-2-enal
CID 135042084
ethanol;methane;methoxyethane
CID 157365147
methanol;methoxyethane;nickel(2+);dibromide
CID 173085922

Frequently Asked Questions

What is the IUPAC name of methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal?
The IUPAC name of methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal (CID 156813990) is methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal.
What is the SMILES notation for methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal?
The canonical SMILES for methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal is CC/C(=C/C=O)COC.CCOC.
What is the InChIKey of methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal?
The InChIKey is ZLSADMIYVXFABU-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H12O2.C3H8O/c1-3-7(4-5-8)6-9-2;1-3-4-2/h4-5H,3,6H2,1-2H3;3H2,1-2H3/b7-4-;.
What are the key properties of methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal?
methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal has a molecular weight of 188.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal is sourced from PubChem (CID 156813990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).