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Triisopropyl Orthoformate

CAT: 0572-TRC-T886178-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T886178-1GSize:1 g
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CAS Number
4447-60-3
Synonyms
2,2',2''-[Methylidynetris(oxy)]tris[propane]; Tri(2-propyl) orthoformate; Tri(prop-2-yl) orthoformate; Tri-iso-propyl orthoformate;
Hazard Statement
Flammable liquid and vapour; UN number: UN3272; Packing Group: III
Smiles
COC(=O)[C@H]1CC=CC[C@H]1C(=O)O
Molecular Formula
C9 H12 O4
Molecular Weight
184.189
InChI
InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
Additionnal Information
IUPAC name: (1R,6S)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Propane, 2,2',2''-[methylidynetris(oxy)]tris-
CAS Number4447-60-3
PubChem CID78191
IUPAC Name2-[di(propan-2-yloxy)methoxy]propane
Molecular FormulaC10H22O3
Molecular Weight190.28
XLogP2.4
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity97
SMILES
CC(C)OC(OC(C)C)OC(C)C
InChI
InChI=1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3
InChIKey
FPIVAWNGRDHRSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propane, 2,2',2''-[methylidynetris(oxy)]tris-
CAS: 4447-60-3
CID: 78191
Formula: C10H22O3
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass190.15689456
Monoisotopic Mass190.15689456
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity97.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes