1-Dodecyne - CAS 765-03-7

Catalog:	BB035590
Product Name:	1-Dodecyne
CAS:	765-03-7
Synonyms:	dodec-1-yne

Technical Data

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Computed Properties

IUPAC Name:	dodec-1-yne
Description:	1-Dodecyne (CAS# 765-03-7) is a useful reagent for the preparation of pyrrole derivatives as ACC inhibitors.
Molecular Weight:	166.30
Molecular Formula:	C12H22
Canonical SMILES:	CCCCCCCCCCC#C
InChI:	InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3
InChI Key:	ZVDBUOGYYYNMQI-UHFFFAOYSA-N
Boiling Point:	215 °C (lit.)
Purity:	> 95.0 % (GC)
Density:	0.778 g/mL at 25 °C (lit.)
LogP:	4.15040

Publication Number	Title	Priority Date
CN-111620762-A	Method for preparing disubstituted alkene by end group alkyne hydroarylation	20200616
CN-111393480-A	Gold complex containing diphosphine o-carborane ligand and preparation method and application thereof	20200407
CN-111317721-A	Nano drug-loaded drug release system, application and preparation method thereof, and preparation method of 2, 6-diphenylpyridine derivative	20200214
CN-113024359-A	Method for producing alkoxymethyl alkynyl ether compounds having terminal triple bond	20191225
WO-2021110968-A1	Macrocylces comprising a 4-amido-2,4-pentadienoate moiety for the treatment of hypoxic cancers	20191204

PMID	Publication Date	Title	Journal
22441806	20120721	Electronic conductivity of alkyne-capped ruthenium nanoparticles	Nanoscale
22229968	20120125	Alkyne-functionalized ruthenium nanoparticles: ruthenium-vinylidene bonds at the metal-ligand interface	Journal of the American Chemical Society
21673646	20110606	Fixed volume or fixed pressure: a murine model of hemorrhagic shock	Journal of visualized experiments : JoVE
20878811	20101115	Tunable hydrophobicity in DNA micelles: design, synthesis, and characterization of a new family of DNA amphiphiles	Chemistry (Weinheim an der Bergstrasse, Germany)
19132937	20090206	Oxidative cyclization reactions of trienes and dienynes: total synthesis of membrarollin	The Journal of organic chemistry

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GHS Hazard Statement:	H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P273, P280, P305+P351+P338, P310, and P501
Signal Word:	Danger

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.172150702
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.172150702
Rotatable Bond Count:	8
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7