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LG190155

CAT: 0013-GTR19210339-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210339-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LG190155
CAS Number
233268-78-5
Smiles
C (CC) (CC) (C1=CC (C) =C (OCC (C (C) (C) C) =O) C=C1) C2=CC (C) =C (OCC (C (C) (C) C) =O) C=C2
Molecular Formula
C31H44O4
Molecular Weight
480.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LG190155

structure in first source

CAS Number233268-78-5
PubChem CID15521394
IUPAC Name1-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
Molecular FormulaC31H44O4
Molecular Weight480.7
XLogP8.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity638
SMILES
CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC(=C(C=C2)OCC(=O)C(C)(C)C)C
InChI
InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
InChIKey
WBLVHHHWMJPSGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LG190155
CAS: 233268-78-5
CID: 15521394
Formula: C31H44O4
MW: 480.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.7
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass480.32395988
Monoisotopic Mass480.32395988
Topological Polar Surface Area52.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity638
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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