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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:30358 - neopentane
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ChEBI Ontology
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ChEBI Name
neopentane
ChEBI ID
CHEBI:30358
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H12
Net Charge
0
Average Mass
72.14878
Monoisotopic Mass
72.09390
InChI
InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
InChIKey
CRSOQBOWXPBRES-UHFFFAOYSA-N
SMILES
CC(C)(C)C
ChEBI Ontology
Outgoing
neopentane (
CHEBI:30358
)
is a
alkane (
CHEBI:18310
)
Incoming
pentaerythritol (
CHEBI:134760
)
has parent hydride
neopentane (
CHEBI:30358
)
neopentyl group (
CHEBI:30357
)
is substituent group from
neopentane (
CHEBI:30358
)
IUPAC Names
2,2-dimethylpropane
neopentane
Synonym
Source
(CH
3
)
4
C
IUPAC
Registry Numbers
Types
Sources
1730722
Beilstein Registry Number
Beilstein
1850
Gmelin Registry Number
Gmelin
463-82-1
CAS Registry Number
NIST Chemistry WebBook
463-82-1
CAS Registry Number
ChemIDplus
Last Modified
23 September 2020