2-Ethyloxane-4-carbaldehyde

CAT: 0926-QEA60297-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-QEA60297-01Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

115602-97-6

MDL Number

MFCD18814949

Smiles

CCC1CC (CCO1) C=O

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Controlled

Chemical Information

2-Ethyloxane-4-carbaldehyde

CAS Number	115602-97-6
PubChem CID	45083482
IUPAC Name	2-ethyloxane-4-carbaldehyde
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	112

SMILES

CCC1CC(CCO1)C=O

InChI

InChI=1S/C8H14O2/c1-2-8-5-7(6-9)3-4-10-8/h6-8H,2-5H2,1H3

InChIKey

DQXINEAFJDSPDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115602-97-6

CID: 45083482

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	112
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
FYB74880-01	4-Ethyloxane-4-carbaldehyde
TBA08012-01	4-Ethyloxane-2,6-dione
RDC68592-01	2-Ethyloxane-4-carboxylic acid
IWB75988-01	4-Ethyloxane-4-carboxylic acid
MKC73407-01	2-Ethyloxane-3-carboxylic acid
YEA23964-01	4-Methoxynaphthalene-2-carbaldehyde
SBC36935-01	4-Methoxypyrimidine-2-carbaldehyde
IBA59017	2-methylthiazole-4-carbaldehyde
HCA50047	4-Chlorofuran-2-carbaldehyde
FB08149	4-Bromothiophene-2-carbaldehyde

Catalog	Name
418649-01	2-Methoxypyrimidine-4-carbaldehyde
266070-01	4-Bromothiazole-2-carbaldehyde
PC1011384-01	4-Fluorobenzofuran-2-carbaldehyde
OR1100877-01	4-decylthiophene-2-carbaldehyde
OR83519-01	4-Nitrothiophene-2-carbaldehyde
261728-01	4-Bromothiophene-2-carbaldehyde
291331-01	2'-Trifluoromethylbiphenyl-4-carbaldehyde
OR1085157-01	4-butylthiophene-2-carbaldehyde
OR1034119	4-Methylfuran-2-carbaldehyde
OR1005425-01	4-Cyclopropylthiazole-2-carbaldehyde