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Home Other Building Blocks 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate

6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate

CAS No.:
141-14-0
Catalog Number:
AG001FPU
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
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Product Description
Catalog Number:
AG001FPU
Chemical Name:
6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate
CAS Number:
141-14-0
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
3,7-dimethyloct-6-enyl propanoate
InChI:
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChI Key:
POPNTVRHTZDEBW-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCC(CCC=C(C)C)C
FEMA Number:
2316
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Poisson parameters of antimicrobial activity: a quantitative structure-activity approach. International journal of molecular sciences 20120101
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil. Bioresource technology 20020901
Properties