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4103-17-7 molecular structure
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3,3-di-tert-butyl-2,2,4,4-tetramethylpentane

ChemBase ID: 129765
Molecular Formular: C17H36
Molecular Mass: 240.46774
Monoisotopic Mass: 240.28170115
SMILES and InChIs

SMILES:
CC(C)(C)C(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Canonical SMILES:
CC(C(C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)C
InChI:
InChI=1S/C17H36/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3
InChIKey:
CHNAIAPYMXIYRV-UHFFFAOYSA-N

Cite this record

CBID:129765 http://www.chembase.cn/molecule-129765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-di-tert-butyl-2,2,4,4-tetramethylpentane
IUPAC Traditional name
tetra-tert-butylmethane
Synonyms
Tetra-tert-butylmethane
CAS Number
4103-17-7
PubChem SID
162224054
PubChem CID
14123361
Chemspider ID
14288112
Wikipedia Title
Tetra-tert-butylmethane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.511038  LogD (pH = 7.4) 6.511038 
Log P 6.511038  Molar Refractivity 79.1277 cm3
Polarizability 32.1456 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

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