1,5-Dimethoxypentane - CAS 111-89-7

Catalog:	BB002826
Product Name:	1,5-Dimethoxypentane
CAS:	111-89-7
Synonyms:	1,5-dimethoxypentane

Technical Data

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Computed Properties

IUPAC Name:	1,5-dimethoxypentane
Description:	1,5-Dimethoxypentane (CAS# 111-89-7) is a useful research chemical.
Molecular Weight:	132.20
Molecular Formula:	C7H16O2
Canonical SMILES:	COCCCCCOC
InChI:	InChI=1S/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
InChI Key:	NFCBHIFOKVDBCJ-UHFFFAOYSA-N
Boiling Point:	146.3 ℃ at 760 mmHg
Purity:	95 %
Density:	0.843 g/mL at 25 ℃ (lit.)
MDL:	MFCD03613608
LogP:	1.44950

Publication Number	Title	Priority Date
CN-111440132-A	Novel method for preparing oxygen heterocyclic compound by ionic liquid catalysis	20200413
JP-2020170686-A	Electrolyte and rechargeable battery	20190405
WO-2020189201-A1	Method for producing bisphenol and method for producing polycarbonate resin	20190318
US-2020216576-A1	Cyclodextrin dimers, compositions thereof, and uses thereof	20190103
EP-3675839-A1	Novel compounds having estrogen receptor alpha degradation activity and uses thereof	20181121

PMID	Publication Date	Title	Journal
18422289	20080515	Swallowtail bacteriochlorins. Lipophilic absorbers for the near-infrared	Organic letters

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Related Functional Groups

Oxygen Compounds

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	40.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.115029749
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.115029749
Rotatable Bond Count:	6
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1