2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde

C8H14O4 — CID 58406124

IUPAC2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde
SMILESC=C[C@H](COCC=O)OCOC
InChIInChI=1S/C8H14O4/c1-3-8(12-7-10-2)6-11-5-4-9/h3-4,8H,1,5-7H2,2H3/t8-/m1/s1
InChIKeyMXJFANUQTXAAIU-MRVPVSSYSA-N
MW174.20 g/mol
LogP0.38
Rot. Bonds8

About 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde

2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde (PubChem CID 58406124) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde.

Molecular Properties

Compound Name2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde
PubChem CID58406124
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde
SMILESC=C[C@H](COCC=O)OCOC
InChIInChI=1S/C8H14O4/c1-3-8(12-7-10-2)6-11-5-4-9/h3-4,8H,1,5-7H2,2H3/t8-/m1/s1
InChIKeyMXJFANUQTXAAIU-MRVPVSSYSA-N
XLogP0.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde?
The IUPAC name of 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde (CID 58406124) is 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde.
What is the SMILES notation for 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde?
The canonical SMILES for 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde is C=C[C@H](COCC=O)OCOC.
What is the InChIKey of 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde?
The InChIKey is MXJFANUQTXAAIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-8(12-7-10-2)6-11-5-4-9/h3-4,8H,1,5-7H2,2H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde?
2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of 0.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde is sourced from PubChem (CID 58406124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).