1-Octadecyne

CAT: 0024-sc-489070Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-489070Size:5 mL

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CAS Number

629-89-0

Chemical Information

1-Octadecyne

octadecyne has been reported in Lonicera japonica with data available.

CAS Number	629-89-0
PubChem CID	69425
IUPAC Name	octadec-1-yne
Molecular Formula	C18H34
Molecular Weight	250.5
XLogP	8.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Heavy Atom Count	18
Formal Charge	0
Complexity	183

SMILES

CCCCCCCCCCCCCCCCC#C

InChI

InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3

InChIKey

IYDNQWWOZQLMRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 629-89-0

CID: 69425

Formula: C18H34

MW: 250.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.5
XLogP3	8.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	250.266051085
Monoisotopic Mass	250.266051085
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255857	1-Octadecene
sc-484683	18-Bromo-1-octadecene
sc-223116	1,7-Octadiyne
sc-477921	2-Octadecyl-1-docosanol
sc-477389	(Z) -11-Octadecen-1-ol
sc-504216	1-Bromo-2,5-octadiyne
sc-477527	(Z) -13-Octadecen-1-ol
sc-489030	2-Octadecyl-1,4-dimethoxybenzene
sc-218523	Fmoc-1-triphenylmethyl-4-octadecen-1,3-diol
sc-220495	1-Octadecyl Lysophosphatidic Acid (sodium salt)

Catalog	Name
JH398617	1-OCTADECYNE
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-100	1,1,1,1-Kestohexaose
OK59466-01	1,1,1,1-Kestohexose
TRC-T773995-100MG	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
HY-157129	AMPK-α1β1γ1 activator 1
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
410416-01	1,1,1-Trichlorododcane