Home > Compound List > Compound details
337966-85-5 molecular structure
click picture or here to close

1-cyclopentyl-2,2-dimethylpropan-1-ol

ChemBase ID: 295598
Molecular Formular: C10H20O
Molecular Mass: 156.2652
Monoisotopic Mass: 156.15141526
SMILES and InChIs

SMILES:
CC(C)(C)C(C1CCCC1)O
Canonical SMILES:
OC(C(C)(C)C)C1CCCC1
InChI:
InChI=1S/C10H20O/c1-10(2,3)9(11)8-6-4-5-7-8/h8-9,11H,4-7H2,1-3H3
InChIKey:
BCTWRMZVIPKMLP-UHFFFAOYSA-N

Cite this record

CBID:295598 http://www.chembase.cn/molecule-295598.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentyl-2,2-dimethylpropan-1-ol
IUPAC Traditional name
1-cyclopentyl-2,2-dimethylpropan-1-ol
Synonyms
tert-Butyl cyclopentyl carbinol
1-Cyclopentyl-2,2-dimethyl-1-propanol
1-环戊基-2,2-二甲基-1-丙醇
CAS Number
337966-85-5
MDL Number
MFCD00060800
PubChem SID
180681129
PubChem CID
545293

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
B20316 external link Add to cart Please log in.
Data Source Data ID
PubChem 545293 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8332083  LogD (pH = 7.4) 2.8332086 
Log P 2.8332086  Molar Refractivity 47.2178 cm3
Polarizability 19.046404 Å3 Polar Surface Area 20.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
48-50°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

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