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112379-48-3 molecular structure
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bis(pentamethylcyclopenta-2,4-dien-1-yl)strontium

ChemBase ID: 138452
Molecular Formular: C20H30Sr
Molecular Mass: 358.0722
Monoisotopic Mass: 358.14036296
SMILES and InChIs

SMILES:
CC1=C(C(C(=C1C)C)(C)[Sr]C1(C(=C(C(=C1C)C)C)C)C)C
Canonical SMILES:
CC1=C(C)C(=C(C1(C)[Sr]C1(C)C(=C(C(=C1C)C)C)C)C)C
InChI:
InChI=1S/2C10H15.Sr/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;
InChIKey:
NLZDQVUUTOVSHH-UHFFFAOYSA-N

Cite this record

CBID:138452 http://www.chembase.cn/molecule-138452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(pentamethylcyclopenta-2,4-dien-1-yl)strontium
IUPAC Traditional name
bis(pentamethylcyclopenta-2,4-dien-1-yl)strontium
Synonyms
Bis(pentamethylcyclopentadienyl)strontium
双(五甲基环戊二烯)锶
CAS Number
112379-48-3
MDL Number
MFCD02093704
PubChem SID
162232708
PubChem CID
71310147

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
517429 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310147 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8398  LogD (pH = 7.4) 2.8398 
Log P 2.8398  Molar Refractivity 91.6026 cm3
Polarizability 38.89959 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
300 °C (dec.)(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C20H30Sr expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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