2-(prop-2-enoxymethyl)buta-1,3-diene

C8H12O — CID 13347168

IUPAC2-(prop-2-enoxymethyl)buta-1,3-diene
SMILESC=CCOCC(=C)C=C
InChIInChI=1S/C8H12O/c1-4-6-9-7-8(3)5-2/h4-5H,1-3,6-7H2
InChIKeyLSPUQLNDVRDVNL-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds5

About 2-(prop-2-enoxymethyl)buta-1,3-diene

2-(prop-2-enoxymethyl)buta-1,3-diene (PubChem CID 13347168) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)buta-1,3-diene.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)buta-1,3-diene
PubChem CID13347168
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(prop-2-enoxymethyl)buta-1,3-diene
SMILESC=CCOCC(=C)C=C
InChIInChI=1S/C8H12O/c1-4-6-9-7-8(3)5-2/h4-5H,1-3,6-7H2
InChIKeyLSPUQLNDVRDVNL-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
CID 102121537
CID 87625662
CID 87625662
3-prop-2-enoxyprop-1-ene-2-sulfinic acid
CID 143086703
2-prop-2-enoxyacetate
CID 19028340
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
Potassium allyloxide
CID 87828396
2-(trifluoromethoxymethyl)buta-1,3-diene
CID 59097403
prop-2-enoxymethylsilane
CID 123621119
2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
CID 88611425
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
CID 163423904

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)buta-1,3-diene?
The IUPAC name of 2-(prop-2-enoxymethyl)buta-1,3-diene (CID 13347168) is 2-(prop-2-enoxymethyl)buta-1,3-diene.
What is the SMILES notation for 2-(prop-2-enoxymethyl)buta-1,3-diene?
The canonical SMILES for 2-(prop-2-enoxymethyl)buta-1,3-diene is C=CCOCC(=C)C=C.
What is the InChIKey of 2-(prop-2-enoxymethyl)buta-1,3-diene?
The InChIKey is LSPUQLNDVRDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-9-7-8(3)5-2/h4-5H,1-3,6-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)buta-1,3-diene?
2-(prop-2-enoxymethyl)buta-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)buta-1,3-diene is sourced from PubChem (CID 13347168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).