2,5-Dimethyltetrahydrofuran

CAT: 0127-OR928860-01Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR928860-01Size:1 mL

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CAS Number

1003-38-9

MDL Number

MFCD00005369

Purity

98% (isomers mixture)

Smiles

CC1CCC (C) O1

Notes

Stabilized with BHT

Chemical Information

2,5-Dimethyltetrahydrofuran

structure given in first source

CAS Number	1003-38-9
PubChem CID	13855
IUPAC Name	2,5-dimethyloxolane
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	53

SMILES

CC1CCC(O1)C

InChI

InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

InChIKey

OXMIDRBAFOEOQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1003-38-9

CID: 13855

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	53.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1035985-01	(5,5-Dimethyltetrahydrofuran-2-yl) methanamine
OR1102171-01	5,5-Dimethyltetrahydrofuran-3-amine hydrochloride
OR480285	3,3-Dimethyltetrahydrofuran-2-carbaldehyde
OR1079314	5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079313	5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079310	5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR480217-01	2,2-Dimethyltetrahydropyran-4-one
OR1042721-01	[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-01	5,5''-Diiodo-2,2':5',2''-Terthiophene
OR92625-01	5,5''-Dibromo-2,2':5',2''-terthiophene

Catalog	Name
444661-01	Cis-2,5-Dimethyltetrahydrofuran
D45340	2,5-Dimethyltetrahydrofuran 98%
HAA43382-01	5,5-Dimethyltetrahydrofuran-2-carboxylic acid
464594-01	Rel-trans-2,5-Dimethyltetrahydrofuran
sc-225752	2,5-Dimethyltetrahydrofuran, mixture of cis and trans
FD134552-01	[ (5,5-Dimethyltetrahydrofuran-3-yl) methyl]amine
JH113711	4,4-Dimethyltetrahydrofuran-2,3-dione
JH919723	(S) -4,4-Dimethyltetrahydrofuran-3-amine
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde