Isoprene monoxide

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CAS Number

1838-94-4

Synonyms

2-Ethenyl-2-methyloxirane

MDL Number

MFCD00075225

Purity

95%

Smiles

CC1(CO1)C=C

Storage Conditions

Store at 2-8°C

Chemical Information

2-Methyl-2-vinyloxirane

Isoprene oxide is a clear colorless liquid. (NTP, 1992)

CAS Number	1838-94-4
PubChem CID	92166
IUPAC Name	2-ethenyl-2-methyloxirane
Molecular Formula	C5H8O
Molecular Weight	84.12
XLogP	0.7
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	78

SMILES

CC1(CO1)C=C

InChI

InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3

InChIKey

FVCDMHWSPLRYAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1838-94-4

CID: 92166

Formula: C5H8O

MW: 84.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.12
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	84.057514874
Monoisotopic Mass	84.057514874
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	78
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1076682	Isoprene
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BUP04139-01	Indirubin-3'-monoxime
BUP19984	2,3-Butanedione 2-Monoxime
BUP18211	2,3-Butanedione 2-Monoxime
IN13328-01	1,1'-Bis (diphenylphosphino) ferrocene monooxide
OR1042860-01	1,3-Bis (diphenylphosphino) propane monooxide
OR1009041-01	1,1-Cyclohexanediacetic Acid Monoamide
OR1014858-01	Pyrazine-2,3-Dicarboxylic Acid Monoamide
BUP23557-01	1,5-Naphthalenedione, octahydro-, monooxime, trans- (8ci)

Catalog	Name
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