1-Pentadecyne - CAS 765-13-9

Catalog:	BB035594
Product Name:	1-Pentadecyne
CAS:	765-13-9
Synonyms:	pentadec-1-yne

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Computed Properties

IUPAC Name:	pentadec-1-yne
Description:	1-Pentadecyne (CAS# 765-13-9 ) is a useful research chemical.
Molecular Weight:	208.38
Molecular Formula:	C15H28
Canonical SMILES:	CCCCCCCCCCCCCC#C
InChI:	InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
InChI Key:	DONJGKADZJEXRJ-UHFFFAOYSA-N
Boiling Point:	130 °C / 10 mmHg
Density:	0.794 g/mL at 20 °C(lit.)
Appearance:	Colorless clear liquid
MDL:	MFCD00015081
LogP:	5.32070

Publication Number	Title	Priority Date
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
EP-3892666-A1	(poly)alkylene glycol-containing compound	20181205
US-10434570-B1	Mechanochemical functionalization of silicon	20181011
US-2020115237-A1	Mechanochemically Functionalized Silicon	20181011
US-2020115397-A1	Functionalized silicon	20181011

PMID	Publication Date	Title	Journal
22649385	20110101	Biosynthetic Pathway for Sex Pheromone Components Produced in a Plusiinae Moth, Plusia festucae	Frontiers in endocrinology

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GHS Hazard Statement:	H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P261, P264, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.219100893
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.219100893
Rotatable Bond Count:	11
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.3