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Trihexylphosphine oxide

CAT: 0572-TRC-T145850-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T145850-25MGSize:25 mg
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CAS Number
3084-48-8
Hazard Statement
No Data Available
Smiles
CCCCCCP(CCCCCC)(CCCCCC)=O
Molecular Formula
C18H39OP
Molecular Weight
302.48
InChI
InChI=1S/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

Chemical Information

Phosphine oxide, trihexyl-
CAS Number3084-48-8
PubChem CID76514
IUPAC Name1-dihexylphosphorylhexane
Molecular FormulaC18H39OP
Molecular Weight302.5
XLogP6.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity200
SMILES
CCCCCCP(=O)(CCCCCC)CCCCCC
InChI
InChI=1S/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
PPDZLUVUQQGIOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphine oxide, trihexyl-
CAS: 3084-48-8
CID: 76514
Formula: C18H39OP
MW: 302.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass302.27385286
Monoisotopic Mass302.27385286
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity200
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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