Home > Compound List > Compound details
3100-04-7 molecular structure
click picture or here to close

1-methylcycloprop-1-ene

ChemBase ID: 125162
Molecular Formular: C4H6
Molecular Mass: 54.09044
Monoisotopic Mass: 54.04695019
SMILES and InChIs

SMILES:
C1=C(C)C1
Canonical SMILES:
CC1=CC1
InChI:
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3
InChIKey:
SHDPRTQPPWIEJG-UHFFFAOYSA-N

Cite this record

CBID:125162 http://www.chembase.cn/molecule-125162.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylcycloprop-1-ene
IUPAC Traditional name
1-methylcyclopropene
Synonyms
1-Methylcyclopropene
CAS Number
3100-04-7
PubChem SID
162219512
PubChem CID
151080
Chemspider ID
133162
Wikipedia Title
1-Methylcyclopropene

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) 1.2151456  LogD (pH = 7.4) 1.2151456 
Log P 1.2151456  Molar Refractivity 19.2016 cm3
Polarizability 7.1599445 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Boiling Point
~12 °C expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle