2-Methoxy-1,3-butadiene

HCID 99338CAS 3588-30-5
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Basic information

Standard SMILES
C=CC(=C)OC
InChIKey
LYGKSUOGJYYSOI-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Names & identifiers

Preferred name
2-Methoxy-1,3-butadiene
IUPAC
2-methoxybuta-1,3-diene
English name
2-methoxy-1,3-butadiene
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

2-Methoxy-1,3-butadiene3588-30-51,3-Butadiene, 2-methoxy-METHOXYPRENENSC-216077TZ8324YIF4DTXSID70189437RefChem:87793DTXCID001119282-methoxybuta-1,3-diene2-methoxybutadieneNSC216077
Show more names
2-Methoxybutane-1,3-diene
NSC 2160772-methoxy-buta-1,3-dieneUNII-TZ8324YIF4SCHEMBL303862SCHEMBL5673957LYGKSUOGJYYSOI-UHFFFAOYSA-NETHER, METHYL 1-METHYLENEALLYL

Database identifiers

CAS
3588-30-5
PubChem CID
99338
DTXSID
DTXSID70189437
UNII
TZ8324YIF4
Nikkaji
J264.007D

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point
75 °C · 75°C (estimate)
Density
0.8272 · 0.8272
refractive index
1.4442 · 1.4442
FDA UNII
8324 YIF4 · TZ8324YIF4

Related reactions

14 records
New reaction record

Linked notes

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