Acetone Dibutyl Acetal

CAT: 0024-sc-472142Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-472142Size:25 mL

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CAS Number

141-72-0

Chemical Information

2,2-Dibutoxypropane

CAS Number	141-72-0
PubChem CID	67335
IUPAC Name	1-(2-butoxypropan-2-yloxy)butane
Molecular Formula	C11H24O2
Molecular Weight	188.31
XLogP	3.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	98

SMILES

CCCCOC(C)(C)OCCCC

InChI

InChI=1S/C11H24O2/c1-5-7-9-12-11(3,4)13-10-8-6-2/h5-10H2,1-4H3

InChIKey

CXBFTMAIVDLZLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141-72-0

CID: 67335

Formula: C11H24O2

MW: 188.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.31
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	188.177630004
Monoisotopic Mass	188.177630004
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	98.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-250521	N, N-Dimethylformamide dibutyl acetal
sc-252685	Dibutyl butylphosphonate
sc-252687	Dibutyl sulfide
sc-227785	Dibutyl succinate
sc-214876A	Dibutyl sebacate
sc-214876	Dibutyl sebacate
sc-257324	Dibutyl chlorendate
sc-252686	Dibutyl phosphite
sc-234570	Dibutyl sulfate
sc-489747	Dibutyl Itaconate

Catalog	Name
OR1078293-01	Acetone Dibutyl Acetal
OR1012590-01	Butyraldehyde Dibutyl Acetal
OR17208-01	Acetone dimethyl acetal
OR1029050-01	N, N-Dimethylformamide Dibutyl Acetal
073905-01	2,2’-Dimethoxy Propane for Synthesis (Acetone Dimethyl Acetal)
AR-A01131-01	Acetal (Acetaldehyde Diethyl Acetal)
TRC-A132590-25G	Acetal
40170004-3	Acetone
FD62552	Dibutyl maleate
591634	Dibutyl tartrate