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2- (Octyloxy) naphthalene

CAT: 0127-OR1095462-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
70617-42-4
MDL Number
MFCD32632302
Purity
97%
Smiles
C1ccc2c (c1) cc (cc2) OCCCCCCCC

Chemical Information

2-(Octyloxy)naphthalene
CAS Number70617-42-4
PubChem CID14718441
IUPAC Name2-octoxynaphthalene
Molecular FormulaC18H24O
Molecular Weight256.4
XLogP6.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity226
SMILES
CCCCCCCCOC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H24O/c1-2-3-4-5-6-9-14-19-18-13-12-16-10-7-8-11-17(16)15-18/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey
OOFHZCBIIQCWQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Octyloxy)naphthalene
CAS: 70617-42-4
CID: 14718441
Formula: C18H24O
MW: 256.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.4
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass256.182715385
Monoisotopic Mass256.182715385
Topological Polar Surface Area9.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity226
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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