2-but-2-enoxy-2-prop-1-enoxyacetaldehyde

C9H14O3 — CID 57212550

IUPAC2-but-2-enoxy-2-prop-1-enoxyacetaldehyde
SMILESCC=CCOC(C=O)OC=CC
InChIInChI=1S/C9H14O3/c1-3-5-7-12-9(8-10)11-6-4-2/h3-6,8-9H,7H2,1-2H3
InChIKeyDHUFZZUQUMRGEM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.65
Rot. Bonds6

About 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde

2-but-2-enoxy-2-prop-1-enoxyacetaldehyde (PubChem CID 57212550) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde.

Molecular Properties

Compound Name2-but-2-enoxy-2-prop-1-enoxyacetaldehyde
PubChem CID57212550
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-but-2-enoxy-2-prop-1-enoxyacetaldehyde
SMILESCC=CCOC(C=O)OC=CC
InChIInChI=1S/C9H14O3/c1-3-5-7-12-9(8-10)11-6-4-2/h3-6,8-9H,7H2,1-2H3
InChIKeyDHUFZZUQUMRGEM-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

1-prop-1-enoxybut-2-ene
CID 21944
1-(1-chloroethoxy)but-2-ene
CID 91247545
3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
CID 11276814
2-but-2-enoxy-N,3-dimethylbutan-1-amine
CID 76943471
2-but-2-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 76943487
2-but-2-enoxypropanehydrazide
CID 76999476
1-but-2-enoxybutan-1-ol
CID 141328294
(2S)-2-[(E)-but-2-enoxy]-3-phenylmethoxypropanal
CID 10857375
but-2-enoxy(trimethyl)silane
CID 554664
2-but-2-enoxy-N-prop-2-enylpropan-1-amine
CID 76946820
[(E)-hex-4-en-2-yl] formate
CID 14644553
1-[(E)-but-2-enoxy]propyl-trimethoxysilane
CID 18672775

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde?
The IUPAC name of 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde (CID 57212550) is 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde.
What is the SMILES notation for 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde?
The canonical SMILES for 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde is CC=CCOC(C=O)OC=CC.
What is the InChIKey of 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde?
The InChIKey is DHUFZZUQUMRGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-5-7-12-9(8-10)11-6-4-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde?
2-but-2-enoxy-2-prop-1-enoxyacetaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-2-prop-1-enoxyacetaldehyde is sourced from PubChem (CID 57212550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).