3-Cyclopentyl-1-propyne - CAS 116279-08-4
Catalog: |
BB003734 |
Product Name: |
3-Cyclopentyl-1-propyne |
CAS: |
116279-08-4 |
Synonyms: |
prop-2-ynylcyclopentane |
IUPAC Name: | prop-2-ynylcyclopentane |
Description: | 3-Cyclopentyl-1-propyne (CAS# 116279-08-4) is a useful building block. Due to the fact that it has a terminal alkyne it can be used to explore regioselective reactions. |
Molecular Weight: | 108.18 |
Molecular Formula: | C8H12 |
Canonical SMILES: | C#CCC1CCCC1 |
InChI: | InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h1,8H,3-7H2 |
InChI Key: | VBTCAHMANZTRMG-UHFFFAOYSA-N |
Boiling Point: | 132-134 °C (lit.) |
Density: | 0.827 g/mL at 25 °C (lit.) |
MDL: | MFCD00041559 |
LogP: | 2.19990 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
US-2021052586-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021035196-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
EP-3016934-A2 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EP-3016934-B1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
Complexity: | 98.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 108.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.093900383 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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