tert-Butyl hexanoate

HCID 520162

Notes Reactions

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Basic information

CAS: 2492-18-4
Standard SMILES: CCCCCC(=O)OC(C)(C)C
InChIKey: DANUJARGWMPVQX-UHFFFAOYSA-N
Molecular formula: C10H20O2
Average molar mass: 172.26 g/mol
Monoisotopic mass: 172.14632988

Names & identifiers

Preferred name: tert-Butyl hexanoate
IUPAC: tert-butyl hexanoate

Names & synonyms

tert-Butyl hexanoate2492-18-4Hexanoic acid, 1,1-dimethylethyl esterhexanoic acid tert-butyl esterMFCD19600041starbld0030072tert-Butyl hexanoate #SCHEMBL522691SCHEMBL4741049SCHEMBL4741052SCHEMBL7298350DTXSID10334267

Show more names

AC8549AKOS013212036DA-20359SY254022

Database identifiers

CAS: 2492-18-4
PubChem CID: 520162
DTXSID: DTXSID10334267
Nikkaji: J672.933I

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Related reactions

1 records

New reaction record

HRID 1491033As reactantBorylation dataset from Roche

Compound notes

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