CAS 62992-46-5 2-(4-Pentynyloxy)tetrahydro-2H-pyran (HCID 357816)

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Basic information

CAS: 62992-46-5
Standard SMILES: C#CCCCOC1CCCCO1
InChIKey: TZRUKFFDSQQSCK-UHFFFAOYSA-N
Molecular formula: C10H16O2
Average molar mass: 168.23 g/mol
Monoisotopic mass: 168.11502975

Names & identifiers

Preferred name: 2-(4-Pentynyloxy)tetrahydro-2H-pyran
IUPAC: 2-pent-4-ynoxyoxane
English name: 2-(4-PENTYNYLOXY)TETRAHYDRO-2H-PYRAN 9&
Molecular formula: C10H16O2
Molecular weight: 168.23

Names & synonyms

62992-46-52-(4-Pentynyloxy)tetrahydro-2H-pyranDTXSID00326818RefChem:252794DTXCID402779312-pent-4-ynoxyoxane2-(pent-4-yn-1-yloxy)tetrahydro-2H-pyran2-(pent-4-ynyloxy)tetrahydro-2H-pyranMFCD007926552-(pent-4-yn-1-yloxy)oxaneNSC6173492-(4-PentynyL

Show more names

2-(pent-4-ynyloxy)tetrahydro-1H-pyran1-(tetrahydropyran-2-yloxy)-4-pentyne2-(4-pentylyneoxy)tetrahydro-2H-pyran

oxy)tetrahydro-2H-pyran2H-Pyran, tetrahydro-2-(4-pentynyloxy)-2-(4-PENTYNYLOXY)TETRAHYDRO-2H-PYRAN 9&2-pent-4-ynoxytetrahydropyranSCHEMBL735477SCHEMBL288273595-tetrahydropyranyloxy-1-pentyne5-tetrahydropyranyloxy -1-pentyne

Database identifiers

CAS: 62992-46-5
PubChem CID: 357816
DTXSID: DTXSID00326818
Nikkaji: J765.230E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 84 · 84-88 °C (lit.)
Boiling point: 40 · 40-45 °C/0.03 mmHg (lit.)
Density: 0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4570(lit.)
Flash point: 177 °C · 177 °C
storage temp.: 2 · 2-8°C
InChI: 1S/C10H16O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,10H,3-9H2
InChIKey: TZRUKFFDSQQSCK-UHFFFAOYSA-N
SMILES: C#CCCCOC1CCCCO1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
PPE

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Applications

Uses2-(4-Pentynyloxy)tetrahydro-2H-pyran is used as a reagent in the synthesis of (+)-Citrafungin A, an alkyl citrate compound that acts as a geranylgeranyltransferase (GGTase) inhibitor and also exhibits antifungal activity.