Name: Name:1,3-Dioxane-2-butanal, 5,5-dimethyl-
Brand: Angene
SKU: AG000X7J
Rating: 90 (10 reviews)

1,3-Dioxane-2-butanal, 5,5-dimethyl-

CAS No.:

127600-13-9

Catalog Number:

AG000X7J

Molecular Formula:

C10H18O3

Molecular Weight:

186.2481

Catalog Number:

AG000X7J

Chemical Name:

1,3-Dioxane-2-butanal, 5,5-dimethyl-

CAS Number:

127600-13-9

Molecular Formula:

C10H18O3

Molecular Weight:

186.2481

MDL Number:

MFCD02683076

IUPAC Name:

4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal

InChI:

InChI=1S/C10H18O3/c1-10(2)7-12-9(13-8-10)5-3-4-6-11/h6,9H,3-5,7-8H2,1-2H3

InChI Key:

KSKRSPYEXSAZRE-UHFFFAOYSA-N

SMILES:

O=CCCCC1OCC(CO1)(C)C

Complexity:

156

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.251g/mol

Monoisotopic Mass:

186.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2