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Propofol Isopropyl Ether

CAT: 0572-TRC-P829820-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P829820-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141214-18-8
Synonyms
Propofol Imp. G (EP); Propofol USP Related Compound C; Propofol USP RC C; 2-(1-Methylethoxy)-1,3-bis(1-methylethyl)benzene; Propofol Related Compound C; Propofol Impurity G
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Smiles
CC(C)Oc1c(cccc1C(C)C)C(C)C
Molecular Formula
C15 H24 O
Molecular Weight
220.35
InChI
InChI=1S/C15H24O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-12H,1-6H3
Additionnal Information
IUPAC name: 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Diisopropylphenyl isopropyl ether
CAS Number141214-18-8
PubChem CID54154094
IUPAC Name1,3-di(propan-2-yl)-2-propan-2-yloxybenzene
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP4.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity180
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(C)C
InChI
InChI=1S/C15H24O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-12H,1-6H3
InChIKey
APXUVWNNDMEOEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Diisopropylphenyl isopropyl ether
CAS: 141214-18-8
CID: 54154094
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area9.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity180
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

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