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Home > Other Heterocycles > 81472-46-0

81472-46-0

81472-46-0 | Bicyclo[2.2.2]octane-1-methanol, 4-pentyl-

CAS No: 81472-46-0 Catalog No: AG005KJH MDL No:

Product Description

Catalog Number:
AG005KJH
Chemical Name:
Bicyclo[2.2.2]octane-1-methanol, 4-pentyl-
CAS Number:
81472-46-0
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
(4-pentyl-1-bicyclo[2.2.2]octanyl)methanol
InChI:
InChI=1S/C14H26O/c1-2-3-4-5-13-6-9-14(12-15,10-7-13)11-8-13/h15H,2-12H2,1H3
InChI Key:
YZYMBDRBMFQEHQ-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)CO

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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