S-Butyl methyl ether

CAT: 0127-OR14508-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR14508-01Size:1 g

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CAS Number

6795-87-5

MDL Number

MFCD00190205

Purity

98%

Smiles

CCC(C)OC

Chemical Information

2-Methoxybutane

CAS Number	6795-87-5
PubChem CID	23238
IUPAC Name	2-methoxybutane
Molecular Formula	C5H12O
Molecular Weight	88.15
XLogP	1.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	27

SMILES

CCC(C)OC

InChI

InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3

InChIKey

FVNIMHIOIXPIQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6795-87-5

CID: 23238

Formula: C5H12O

MW: 88.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.15
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	88.088815002
Monoisotopic Mass	88.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	27.1
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

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